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

C26H23Cl2F3N6O2 — CID 134278718

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

5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134278718) has the molecular formula C26H23Cl2F3N6O2 and a molecular weight of 579.41 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 134278718
• Molecular Formula: C26H23Cl2F3N6O2
• Molecular Weight: 579.41 g/mol
• Exact Mass: 578.12
• IUPAC Name: 5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1cnc2c(Cl)cc(C(=O)N3CC[C@@H](NC(=O)c4c(C(F)(F)F)nn(C)c4Cl)[C@@H](c4ccccc4)C3)cn12
• InChI: InChI=1S/C26H23Cl2F3N6O2/c1-14-11-32-23-18(27)10-16(12-37(14)23)25(39)36-9-8-19(17(13-36)15-6-4-3-5-7-15)33-24(38)20-21(26(29,30)31)34-35(2)22(20)28/h3-7,10-12,17,19H,8-9,13H2,1-2H3,(H,33,38)/t17-,19-/m1/s1
• InChIKey: LRDVXFSBRZOOJQ-IEBWSBKVSA-N
• XLogP: 5.13
• TPSA: 84.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.41
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 134278718) is 5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

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

The canonical SMILES for 5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cnc2c(Cl)cc(C(=O)N3CC[C@@H](NC(=O)c4c(C(F)(F)F)nn(C)c4Cl)[C@@H](c4ccccc4)C3)cn12.

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

The InChIKey is LRDVXFSBRZOOJQ-IEBWSBKVSA-N. The full InChI is InChI=1S/C26H23Cl2F3N6O2/c1-14-11-32-23-18(27)10-16(12-37(14)23)25(39)36-9-8-19(17(13-36)15-6-4-3-5-7-15)33-24(38)20-21(26(29,30)31)34-35(2)22(20)28/h3-7,10-12,17,19H,8-9,13H2,1-2H3,(H,33,38)/t17-,19-/m1/s1.

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

5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 579.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134278718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).