2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid

C23H19FN4O3 — CID 11407443

IUPAC2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(C)c(-n2nc(-c3ccc(F)cc3)cc2Nc2ncccc2C(=O)O)c1
InChIInChI=1S/C23H19FN4O3/c1-14-5-10-17(31-2)12-20(14)28-21(26-22-18(23(29)30)4-3-11-25-22)13-19(27-28)15-6-8-16(24)9-7-15/h3-13H,1-2H3,(H,25,26)(H,29,30)
InChIKeyAJNNYEYTBKEOOS-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.83
Rot. Bonds6

About 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid

2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 11407443) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID11407443
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(C)c(-n2nc(-c3ccc(F)cc3)cc2Nc2ncccc2C(=O)O)c1
InChIInChI=1S/C23H19FN4O3/c1-14-5-10-17(31-2)12-20(14)28-21(26-22-18(23(29)30)4-3-11-25-22)13-19(27-28)15-6-8-16(24)9-7-15/h3-13H,1-2H3,(H,25,26)(H,29,30)
InChIKeyAJNNYEYTBKEOOS-UHFFFAOYSA-N
XLogP4.83
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
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CID 9966486
4-((8-(4-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino)benzoic acid
CID 44555004
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720148
5-Amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86342113
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CID 86342114
N-(3-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 4298773
2-(4-phenoxyphenyl)-9-(pyridin-3-ylmethoxy)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971406
7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide
CID 155516371
7-methoxy-N-(2-methylpyrazol-3-yl)quinoline-3-carboxamide
CID 155557287
7-methoxy-N-(1-methylpyrazol-3-yl)quinoline-3-carboxamide
CID 155563576
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 162651093

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (CID 11407443) is 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is COc1ccc(C)c(-n2nc(-c3ccc(F)cc3)cc2Nc2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is AJNNYEYTBKEOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-14-5-10-17(31-2)12-20(14)28-21(26-22-18(23(29)30)4-3-11-25-22)13-19(27-28)15-6-8-16(24)9-7-15/h3-13H,1-2H3,(H,25,26)(H,29,30).
What are the key properties of 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 418.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-1-(5-methoxy-2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11407443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).