imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C22H22F3N3O — CID 95553405

About imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 95553405) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
• PubChem CID: 95553405
• Molecular Formula: C22H22F3N3O
• Molecular Weight: 401.43 g/mol
• Exact Mass: 401.17
• IUPAC Name: imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
• SMILES: O=C(c1cnc2ccccn12)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C22H22F3N3O/c23-22(24,25)18-7-3-5-16(13-18)9-10-17-6-4-11-27(15-17)21(29)19-14-26-20-8-1-2-12-28(19)20/h1-3,5,7-8,12-14,17H,4,6,9-11,15H2/t17-/m1/s1
• InChIKey: CPSRUBXDUHCHST-QGZVFWFLSA-N
• XLogP: 4.84
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.43
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?

The IUPAC name of imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 95553405) is imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

What is the SMILES notation for imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?

The canonical SMILES for imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is O=C(c1cnc2ccccn12)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1.

What is the InChIKey of imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?

The InChIKey is CPSRUBXDUHCHST-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22F3N3O/c23-22(24,25)18-7-3-5-16(13-18)9-10-17-6-4-11-27(15-17)21(29)19-14-26-20-8-1-2-12-28(19)20/h1-3,5,7-8,12-14,17H,4,6,9-11,15H2/t17-/m1/s1.

What are the key properties of imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?

imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 401.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95553405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).