N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide

C24H17ClF4N4O2 — CID 155402599

About N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide (PubChem CID 155402599) has the molecular formula C24H17ClF4N4O2 and a molecular weight of 504.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 155402599
• Molecular Formula: C24H17ClF4N4O2
• Molecular Weight: 504.87 g/mol
• Exact Mass: 504.10
• IUPAC Name: N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide
• SMILES: Cn1nc(C(F)(F)F)cc1-c1ccc(N(Cc2ccc(Cl)cc2)C(=O)c2cncc(F)c2)cc1O
• InChI: InChI=1S/C24H17ClF4N4O2/c1-32-20(10-22(31-32)24(27,28)29)19-7-6-18(9-21(19)34)33(13-14-2-4-16(25)5-3-14)23(35)15-8-17(26)12-30-11-15/h2-12,34H,13H2,1H3
• InChIKey: UONAEIALHGQBIM-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.87
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide (CID 155402599) is N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide is Cn1nc(C(F)(F)F)cc1-c1ccc(N(Cc2ccc(Cl)cc2)C(=O)c2cncc(F)c2)cc1O.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is UONAEIALHGQBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N4O2/c1-32-20(10-22(31-32)24(27,28)29)19-7-6-18(9-21(19)34)33(13-14-2-4-16(25)5-3-14)23(35)15-8-17(26)12-30-11-15/h2-12,34H,13H2,1H3.

What are the key properties of N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide?

N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 504.87 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155402599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).