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KF4 : Summary
Code ![](/pdbe/static/images/help.png)
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KF4
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C18 H14 N8 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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374.356 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c21cnnc1cc(c(c2)c3nncc3NC(c4cnn5c4nccc5)=O)OC |
SMILES
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CACTVS |
3.385 |
COc1cc2[nH]ncc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2 |
Canonical SMILES
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CACTVS |
3.385 |
COc1cc2[nH]ncc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H14N8O2/c1-28-15-6-13-10(7-20-24-13)5-11(15)16-14(9-21-25-16)23-18(27)12-8-22-26-4-2-3-19-17(12)26/h2-9H,1H3,(H,20,24)(H,21,25)(H,23,27) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YENOZGNVRCRNCQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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42 (28 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2018-11-29
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Last modified at ![](/pdbe/static/images/help.png)
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2019-04-19
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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