4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid

C10H11N3O4 — CID 136953131

IUPAC4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCC(C)n1ncc2c(O)c(C(=O)O)c(=O)[nH]c21
InChIInChI=1S/C10H11N3O4/c1-4(2)13-8-5(3-11-13)7(14)6(10(16)17)9(15)12-8/h3-4H,1-2H3,(H,16,17)(H2,12,14,15)
InChIKeyBFAVOOVKEBIVPW-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.71
Rot. Bonds2

About 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid

4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 136953131) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID136953131
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCC(C)n1ncc2c(O)c(C(=O)O)c(=O)[nH]c21
InChIInChI=1S/C10H11N3O4/c1-4(2)13-8-5(3-11-13)7(14)6(10(16)17)9(15)12-8/h3-4H,1-2H3,(H,16,17)(H2,12,14,15)
InChIKeyBFAVOOVKEBIVPW-UHFFFAOYSA-N
XLogP0.71
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135454820
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135854283
1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136842584
3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide
CID 154770693
1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one
CID 137277698
4-fluoro-1-propan-2-ylpyrazole-5-carboxylic acid
CID 58356341
2-[(4-oxo-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanamide
CID 137174465
1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135600424
4-hydroxy-5-methyl-6-(1-methylindazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284595
2-(1-propan-2-ylindazol-4-yl)propanoic acid
CID 84726671
(Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 136696061

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid (CID 136953131) is 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid is CC(C)n1ncc2c(O)c(C(=O)O)c(=O)[nH]c21.
What is the InChIKey of 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is BFAVOOVKEBIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-4(2)13-8-5(3-11-13)7(14)6(10(16)17)9(15)12-8/h3-4H,1-2H3,(H,16,17)(H2,12,14,15).
What are the key properties of 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 136953131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).