5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C27H27F3N6O2 — CID 147946887

About 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 147946887) has the molecular formula C27H27F3N6O2 and a molecular weight of 524.55 g/mol. Its IUPAC name is 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 147946887
• Molecular Formula: C27H27F3N6O2
• Molecular Weight: 524.55 g/mol
• Exact Mass: 524.21
• IUPAC Name: 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1c(-c2ccnn2-c2ccc(N)cc2)cc(C(=O)NCCN(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C27H27F3N6O2/c1-17-22(24-11-12-33-36(24)20-9-7-19(31)8-10-20)16-23(25(37)32-13-14-34(2)3)26(38)35(17)21-6-4-5-18(15-21)27(28,29)30/h4-12,15-16H,13-14,31H2,1-3H3,(H,32,37)
• InChIKey: IMVMIXCTRONNHZ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 98.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.55
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 147946887) is 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2ccnn2-c2ccc(N)cc2)cc(C(=O)NCCN(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is IMVMIXCTRONNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2/c1-17-22(24-11-12-33-36(24)20-9-7-19(31)8-10-20)16-23(25(37)32-13-14-34(2)3)26(38)35(17)21-6-4-5-18(15-21)27(28,29)30/h4-12,15-16H,13-14,31H2,1-3H3,(H,32,37).

What are the key properties of 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 524.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-aminophenyl)pyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 147946887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).