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4GD : Summary
Code ![](/pdbe/static/images/help.png)
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4GD
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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-(3-methyl-1-phenyl-1H-pyrazol-5-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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C17 H14 N6 O
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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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318.333 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 |
N(c1n(nc(c1)C)c2ccccc2)C(=O)c3cnn4c3nccc4 |
SMILES
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CACTVS |
3.385 |
Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4ccccc4 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MCBSZIDQUDBWTG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (24 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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2015-03-17
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Last modified at ![](/pdbe/static/images/help.png)
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2015-05-15
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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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