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

C22H17FN4O2 — CID 11222956

IUPAC2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ccccc1-n1nc(-c2ccc(F)cc2)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C22H17FN4O2/c1-14-5-2-3-7-19(14)27-20(25-21-17(22(28)29)6-4-12-24-21)13-18(26-27)15-8-10-16(23)11-9-15/h2-13H,1H3,(H,24,25)(H,28,29)
InChIKeyCOIBSQOGPFLNAQ-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.82
Rot. Bonds5

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

2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 11222956) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID11222956
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ccccc1-n1nc(-c2ccc(F)cc2)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C22H17FN4O2/c1-14-5-2-3-7-19(14)27-20(25-21-17(22(28)29)6-4-12-24-21)13-18(26-27)15-8-10-16(23)11-9-15/h2-13H,1H3,(H,24,25)(H,28,29)
InChIKeyCOIBSQOGPFLNAQ-UHFFFAOYSA-N
XLogP4.82
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (CID 11222956) is 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is Cc1ccccc1-n1nc(-c2ccc(F)cc2)cc1Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is COIBSQOGPFLNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-14-5-2-3-7-19(14)27-20(25-21-17(22(28)29)6-4-12-24-21)13-18(26-27)15-8-10-16(23)11-9-15/h2-13H,1H3,(H,24,25)(H,28,29).
What are the key properties of 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 388.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11222956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).