3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile

C14H10N4O2 — CID 158652488

IUPAC3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#Cc1c2c(c(O)n(-c3ccccc3)c1=O)C(N)=NC2
InChIInChI=1S/C14H10N4O2/c15-6-9-10-7-17-12(16)11(10)14(20)18(13(9)19)8-4-2-1-3-5-8/h1-5,20H,7H2,(H2,16,17)
InChIKeyDOFWYEVIJSPKNI-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.63
Rot. Bonds1

About 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile

3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile (PubChem CID 158652488) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile
PubChem CID158652488
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#Cc1c2c(c(O)n(-c3ccccc3)c1=O)C(N)=NC2
InChIInChI=1S/C14H10N4O2/c15-6-9-10-7-17-12(16)11(10)14(20)18(13(9)19)8-4-2-1-3-5-8/h1-5,20H,7H2,(H2,16,17)
InChIKeyDOFWYEVIJSPKNI-UHFFFAOYSA-N
XLogP0.63
TPSA104.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 139225060
4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 13438064
6-amino-3,3-dimethyl-8-oxo-7-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
CID 3315583
6-hydroxy-5-[5-(6-hydroxy-5-isocyano-2-oxo-1,4-diphenyl-3-pyridinyl)penta-1,3,4-trienyl]-2-oxo-1,4-diphenylpyridine-3-carbonitrile
CID 54028342
5-amino-2-oxo-1-phenylpyridine-3-carbonitrile
CID 82043803
3-oxo-2-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 82119298
4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 2325122
4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752626
4-(2-amino-3,4-dicyano-5-phenylpyrrol-1-yl)benzoic acid
CID 660267
6-hydroxy-5-[(E,3Z)-3-[1-(2-hydroxyethyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-4-methyl-2-oxo-1-phenylpyridine-3-carbonitrile
CID 135671169
2-amino-1-(4-methylphenyl)-4-methylsulfanyl-6-oxopyrimidine-5-carbonitrile
CID 11807823
6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile
CID 71552565

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile?
The IUPAC name of 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile (CID 158652488) is 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile is N#Cc1c2c(c(O)n(-c3ccccc3)c1=O)C(N)=NC2.
What is the InChIKey of 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile?
The InChIKey is DOFWYEVIJSPKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-6-9-10-7-17-12(16)11(10)14(20)18(13(9)19)8-4-2-1-3-5-8/h1-5,20H,7H2,(H2,16,17).
What are the key properties of 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile?
3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-6-oxo-5-phenyl-1H-pyrrolo[3,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 158652488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).