N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C28H29F3N6O2 — CID 134278581

About N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 134278581) has the molecular formula C28H29F3N6O2 and a molecular weight of 538.57 g/mol. Its IUPAC name is N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 134278581
• Molecular Formula: C28H29F3N6O2
• Molecular Weight: 538.57 g/mol
• Exact Mass: 538.23
• IUPAC Name: N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: Cc1c(C(F)(F)F)nn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)c3ncc(C)n3c2)C[C@@H]1c1ccccc1
• InChI: InChI=1S/C28H29F3N6O2/c1-16-12-20(14-37-17(2)13-32-25(16)37)27(39)36-11-10-22(21(15-36)19-8-6-5-7-9-19)33-26(38)23-18(3)24(28(29,30)31)34-35(23)4/h5-9,12-14,21-22H,10-11,15H2,1-4H3,(H,33,38)/t21-,22-/m1/s1
• InChIKey: MLLOULFZORTBLV-FGZHOGPDSA-N
• XLogP: 4.44
• TPSA: 84.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.57
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 134278581) is N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1c(C(F)(F)F)nn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)c3ncc(C)n3c2)C[C@@H]1c1ccccc1.

What is the InChIKey of N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is MLLOULFZORTBLV-FGZHOGPDSA-N. The full InChI is InChI=1S/C28H29F3N6O2/c1-16-12-20(14-37-17(2)13-32-25(16)37)27(39)36-11-10-22(21(15-36)19-8-6-5-7-9-19)33-26(38)23-18(3)24(28(29,30)31)34-35(23)4/h5-9,12-14,21-22H,10-11,15H2,1-4H3,(H,33,38)/t21-,22-/m1/s1.

What are the key properties of N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 538.57 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 134278581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).