5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide

C25H21F4N5O — CID 118393527

About 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide

5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide (PubChem CID 118393527) has the molecular formula C25H21F4N5O and a molecular weight of 483.47 g/mol. Its IUPAC name is 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide
• PubChem CID: 118393527
• Molecular Formula: C25H21F4N5O
• Molecular Weight: 483.47 g/mol
• Exact Mass: 483.17
• IUPAC Name: 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1cnc(-c2ccccc2)c(Nc2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c1
• InChI: InChI=1S/C25H21F4N5O/c1-33(2)24(35)16-11-22(23(30-14-16)15-7-5-4-6-8-15)31-21-12-17(20-9-10-34(3)32-20)18(13-19(21)26)25(27,28)29/h4-14,31H,1-3H3
• InChIKey: KGZZQHMUVPEDEI-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.47
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide?

The IUPAC name of 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide (CID 118393527) is 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide.

What is the SMILES notation for 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide?

The canonical SMILES for 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cnc(-c2ccccc2)c(Nc2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c1.

What is the InChIKey of 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide?

The InChIKey is KGZZQHMUVPEDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N5O/c1-33(2)24(35)16-11-22(23(30-14-16)15-7-5-4-6-8-15)31-21-12-17(20-9-10-34(3)32-20)18(13-19(21)26)25(27,28)29/h4-14,31H,1-3H3.

What are the key properties of 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide?

5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide has a molecular weight of 483.47 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)anilino]-N,N-dimethyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 118393527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).