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

C27H26ClF3N6O2 — CID 134278265

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

N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 134278265) has the molecular formula C27H26ClF3N6O2 and a molecular weight of 558.99 g/mol. Its IUPAC name is N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 134278265
• Molecular Formula: C27H26ClF3N6O2
• Molecular Weight: 558.99 g/mol
• Exact Mass: 558.18
• IUPAC Name: N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)c3cc(Cl)c4ncc(C)n4c3)C[C@@H]2c2ccccc2)c1C(F)(F)F
• InChI: InChI=1S/C27H26ClF3N6O2/c1-15-12-32-24-20(28)11-18(13-37(15)24)26(39)36-10-9-21(19(14-36)17-7-5-4-6-8-17)33-25(38)23-22(27(29,30)31)16(2)34-35(23)3/h4-8,11-13,19,21H,9-10,14H2,1-3H3,(H,33,38)/t19-,21-/m1/s1
• InChIKey: MIAIGHPZHHQXJX-TZIWHRDSSA-N
• XLogP: 4.79
• 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	558.99
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 134278265) is N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide.

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

The canonical SMILES for N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)c3cc(Cl)c4ncc(C)n4c3)C[C@@H]2c2ccccc2)c1C(F)(F)F.

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

The InChIKey is MIAIGHPZHHQXJX-TZIWHRDSSA-N. The full InChI is InChI=1S/C27H26ClF3N6O2/c1-15-12-32-24-20(28)11-18(13-37(15)24)26(39)36-10-9-21(19(14-36)17-7-5-4-6-8-17)33-25(38)23-22(27(29,30)31)16(2)34-35(23)3/h4-8,11-13,19,21H,9-10,14H2,1-3H3,(H,33,38)/t19-,21-/m1/s1.

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

N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 558.99 g/mol, XLogP of 4.79, 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-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 134278265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).