3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one

C12H9FN4O3 — CID 136622072

IUPAC3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESNc1c2c(=O)[nH]c(O)cc2nn1-c1cccc(F)c1O
InChIInChI=1S/C12H9FN4O3/c13-5-2-1-3-7(10(5)19)17-11(14)9-6(16-17)4-8(18)15-12(9)20/h1-4,18-19H,14H2,(H,15,20)
InChIKeyXQNFOIQPTLKOOA-UHFFFAOYSA-N
MW276.23 g/mol
LogP0.85
Rot. Bonds1

About 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one

3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 136622072) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID136622072
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Name3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESNc1c2c(=O)[nH]c(O)cc2nn1-c1cccc(F)c1O
InChIInChI=1S/C12H9FN4O3/c13-5-2-1-3-7(10(5)19)17-11(14)9-6(16-17)4-8(18)15-12(9)20/h1-4,18-19H,14H2,(H,15,20)
InChIKeyXQNFOIQPTLKOOA-UHFFFAOYSA-N
XLogP0.85
TPSA117.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one (CID 136622072) is 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one is Nc1c2c(=O)[nH]c(O)cc2nn1-c1cccc(F)c1O.
What is the InChIKey of 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is XQNFOIQPTLKOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c13-5-2-1-3-7(10(5)19)17-11(14)9-6(16-17)4-8(18)15-12(9)20/h1-4,18-19H,14H2,(H,15,20).
What are the key properties of 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one?
3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 276.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 136622072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).