4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile

C20H14N4O — CID 92876977

IUPAC4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile
SMILESN#Cc1ccc(N[C@@H]2c3ncccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C20H14N4O/c21-13-14-8-10-15(11-9-14)23-19-18-17(7-4-12-22-18)20(25)24(19)16-5-2-1-3-6-16/h1-12,19,23H/t19-/m0/s1
InChIKeyLBEWPXGUWDPCBF-IBGZPJMESA-N
MW326.36 g/mol
LogP3.72
Rot. Bonds3

About 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile

4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile (PubChem CID 92876977) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile
PubChem CID92876977
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile
SMILESN#Cc1ccc(N[C@@H]2c3ncccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C20H14N4O/c21-13-14-8-10-15(11-9-14)23-19-18-17(7-4-12-22-18)20(25)24(19)16-5-2-1-3-6-16/h1-12,19,23H/t19-/m0/s1
InChIKeyLBEWPXGUWDPCBF-IBGZPJMESA-N
XLogP3.72
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714532
3-[[(7S)-6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile
CID 92714491
7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582391
(7R)-7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714567
7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582377
(7S)-7-(2-chloro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714559
(7S)-7-(2-bromo-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714557
(7R)-7-(3,5-dichloroanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92666230
(7R)-7-(2,4-dimethoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714585
(7S)-7-(3,4-dimethylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92689427
(7R)-7-(3,4-dimethylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92689426
(7S)-7-(3-bromoanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714523

Frequently Asked Questions

What is the IUPAC name of 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile?
The IUPAC name of 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile (CID 92876977) is 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile?
The canonical SMILES for 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile is N#Cc1ccc(N[C@@H]2c3ncccc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile?
The InChIKey is LBEWPXGUWDPCBF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H14N4O/c21-13-14-8-10-15(11-9-14)23-19-18-17(7-4-12-22-18)20(25)24(19)16-5-2-1-3-6-16/h1-12,19,23H/t19-/m0/s1.
What are the key properties of 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile?
4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile has a molecular weight of 326.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile is sourced from PubChem (CID 92876977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).