3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one

C12H10N4O — CID 144934394

IUPAC3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESNc1c2[nH]c(=O)ccc2nn1-c1ccccc1
InChIInChI=1S/C12H10N4O/c13-12-11-9(6-7-10(17)14-11)15-16(12)8-4-2-1-3-5-8/h1-7H,13H2,(H,14,17)
InChIKeyBHGKDKABZOAVKL-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.30
Rot. Bonds1

About 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one

3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 144934394) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one
PubChem CID144934394
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESNc1c2[nH]c(=O)ccc2nn1-c1ccccc1
InChIInChI=1S/C12H10N4O/c13-12-11-9(6-7-10(17)14-11)15-16(12)8-4-2-1-3-5-8/h1-7H,13H2,(H,14,17)
InChIKeyBHGKDKABZOAVKL-UHFFFAOYSA-N
XLogP1.30
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 13329158
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3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
CID 555805
2-(3-amino-2-phenylpyrazolo[4,3-b]pyridin-5-yl)propan-2-ol
CID 129038058
5-bromo-2-phenyl-4H-1,2,4-triazol-3-one
CID 165346620
5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid
CID 115056344
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
1-(3-amino-2-phenylpyrazolo[4,3-b]pyridin-6-yl)-2-hydroxyethanone
CID 129038052
5-pentan-3-yl-2-phenyl-4H-1,2,4-triazol-3-one
CID 135692564
3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136658253
2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one
CID 58345705

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one (CID 144934394) is 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one is Nc1c2[nH]c(=O)ccc2nn1-c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is BHGKDKABZOAVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-12-11-9(6-7-10(17)14-11)15-16(12)8-4-2-1-3-5-8/h1-7H,13H2,(H,14,17).
What are the key properties of 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one?
3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 226.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 144934394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).