Chemical Components in the PDB

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U74 : Summary

Code

U74

One-letter code

X

Molecule name

3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine

Formula

C16 H15 N3 O

Formal charge

0

Molecular weight

265.31 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(cc1)c2nccc3[nH]nc(C4CC4)c23
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)c2c3c(ccn2)[nH]nc3C4CC4
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)c2nccc3[nH]nc(C4CC4)c23
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)c2c3c(ccn2)[nH]nc3C4CC4

IUPAC InChI

InChI=1S/C16H15N3O/c1-20-12-6-4-10(5-7-12)15-14-13(8-9-17-15)18-19-16(14)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,18,19)

IUPAC InChI key

MDGTTXDVZGRPBW-UHFFFAOYSA-N
U74

wwPDB Information

Atom count

35 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-30

Last modified at

2024-03-15

Status

Released

Obsoleted

Not Assigned