4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid

C14H12N4O4 — CID 136651860

IUPAC4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid
SMILESNc1c2c(=O)[nH]c(O)cc2nn1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12N4O4/c15-12-11-9(5-10(19)16-13(11)20)17-18(12)6-7-1-3-8(4-2-7)14(21)22/h1-5,19H,6,15H2,(H,16,20)(H,21,22)
InChIKeyJUZDOEMLZJOJHD-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.76
Rot. Bonds3

About 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid

4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid (PubChem CID 136651860) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid
PubChem CID136651860
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid
SMILESNc1c2c(=O)[nH]c(O)cc2nn1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12N4O4/c15-12-11-9(5-10(19)16-13(11)20)17-18(12)6-7-1-3-8(4-2-7)14(21)22/h1-5,19H,6,15H2,(H,16,20)(H,21,22)
InChIKeyJUZDOEMLZJOJHD-UHFFFAOYSA-N
XLogP0.76
TPSA134.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid with MolForge

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Related Compounds

3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136506414
methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate
CID 136660441
3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136652207
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid;hydrochloride
CID 90484252
4-[[6-(2-aminophenyl)-3,5-dioxo-1,2,4-triazin-2-yl]methyl]benzoic acid
CID 82554449
4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid
CID 69057912
4-[3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid
CID 3382960
4-[(5-methyl-1,2,4-triazol-1-yl)methyl]benzoic acid
CID 82512646
3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136658253
4-[(5,6-dichlorobenzotriazol-1-yl)methyl]benzoic acid
CID 94750680
5-amino-1-benzyl-4-methylpyrazole-3-carboxylic acid
CID 82589961
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzoic acid
CID 84612805

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid?
The IUPAC name of 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid (CID 136651860) is 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid is Nc1c2c(=O)[nH]c(O)cc2nn1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid?
The InChIKey is JUZDOEMLZJOJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c15-12-11-9(5-10(19)16-13(11)20)17-18(12)6-7-1-3-8(4-2-7)14(21)22/h1-5,19H,6,15H2,(H,16,20)(H,21,22).
What are the key properties of 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid?
4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid has a molecular weight of 300.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid is sourced from PubChem (CID 136651860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).