3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

C16H12FN3O3 — CID 167735086

IUPAC3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2c1c(C1CC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O3/c17-9-3-5-10(6-4-9)20-15-13(14(19-20)8-1-2-8)11(16(22)23)7-12(21)18-15/h3-8H,1-2H2,(H,18,21)(H,22,23)
InChIKeyKZRGEUOSTYIQTO-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.43
Rot. Bonds3

About 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 167735086) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID167735086
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2c1c(C1CC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O3/c17-9-3-5-10(6-4-9)20-15-13(14(19-20)8-1-2-8)11(16(22)23)7-12(21)18-15/h3-8H,1-2H2,(H,18,21)(H,22,23)
InChIKeyKZRGEUOSTYIQTO-UHFFFAOYSA-N
XLogP2.43
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
CID 5330976
4-(5-Anilino-3-methylpyrazol-1-yl)benzoic acid
CID 2381081
4-carboxyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11509231
N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 42601145
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-fluorobenzamide
CID 134797792
4-(3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid
CID 136171269
3-Methyl-1-phenyl-1,4,5,8-tetrahydropyrazolo[3,4-b]azepine-4,7-dicarboxylic acid
CID 138753473
5-Benzamido-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 168276657
5-[(3-Fluorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 168283124
5-[(2-Fluorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 168291882
5-[(4-Fluorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 168295776
2-(5-Anilino-3-methylpyrazol-1-yl)benzoic acid
CID 2381421

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 167735086) is 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c2c1c(C1CC1)nn2-c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is KZRGEUOSTYIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-9-3-5-10(6-4-9)20-15-13(14(19-20)8-1-2-8)11(16(22)23)7-12(21)18-15/h3-8H,1-2H2,(H,18,21)(H,22,23).
What are the key properties of 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 313.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 167735086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).