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

C23H19FN4O3 — CID 11395979

IUPAC2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(C)cc1-n1nc(-c2ccc(F)cc2)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C23H19FN4O3/c1-14-5-10-20(31-2)19(12-14)28-21(26-22-17(23(29)30)4-3-11-25-22)13-18(27-28)15-6-8-16(24)9-7-15/h3-13H,1-2H3,(H,25,26)(H,29,30)
InChIKeyUMJPSRICIWQRGT-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.83
Rot. Bonds6

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

2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 11395979) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID11395979
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(C)cc1-n1nc(-c2ccc(F)cc2)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C23H19FN4O3/c1-14-5-10-20(31-2)19(12-14)28-21(26-22-17(23(29)30)4-3-11-25-22)13-18(27-28)15-6-8-16(24)9-7-15/h3-13H,1-2H3,(H,25,26)(H,29,30)
InChIKeyUMJPSRICIWQRGT-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

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

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Related Compounds

US9765058, Example 2-2-9
CID 86580571
N-(2-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 4298774
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 90153809
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 90153817
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methylpyrazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 90153820
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 90153821
US11053219, Example 108
CID 153571156
US11053219, Example 202
CID 155279379
US11053219, Example 145
CID 155279449
N-(2,5-dimethoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3737424
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 75201720
2-(3,5-Dimethyl-pyrazol-1-yl)-4-(2-methoxy-phenylamino)-pyrimidine-5-carboxylic acid ethyl ester
CID 3784246

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (CID 11395979) is 2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is COc1ccc(C)cc1-n1nc(-c2ccc(F)cc2)cc1Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is UMJPSRICIWQRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-14-5-10-20(31-2)19(12-14)28-21(26-22-17(23(29)30)4-3-11-25-22)13-18(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-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
2-[[3-(4-fluorophenyl)-1-(2-methoxy-5-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-(2-methoxy-5-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11395979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).