N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene

C36H42F4N4O2 — CID 145278565

About N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene

N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene (PubChem CID 145278565) has the molecular formula C36H42F4N4O2 and a molecular weight of 638.75 g/mol. Its IUPAC name is N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene.

Molecular Properties

• Compound Name: N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene
• PubChem CID: 145278565
• Molecular Formula: C36H42F4N4O2
• Molecular Weight: 638.75 g/mol
• Exact Mass: 638.32
• IUPAC Name: N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene
• SMILES: C/C=C/C(C)CC.Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)n2c1
• InChI: InChI=1S/C29H28F4N4O2.C7H14/c1-18-3-10-26-35-19(2)27(37(26)17-18)28(38)34-16-20-4-9-25(24(30)15-20)36-13-11-22(12-14-36)21-5-7-23(8-6-21)39-29(31,32)33;1-4-6-7(3)5-2/h3-10,15,17,22H,11-14,16H2,1-2H3,(H,34,38);4,6-7H,5H2,1-3H3/b;6-4+
• InChIKey: WSYVVIJNVGHYBP-DVXCEAISSA-N
• XLogP: 8.91
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.75
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene?

The IUPAC name of N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene (CID 145278565) is N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene.

What is the SMILES notation for N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene?

The canonical SMILES for N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene is C/C=C/C(C)CC.Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)n2c1.

What is the InChIKey of N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene?

The InChIKey is WSYVVIJNVGHYBP-DVXCEAISSA-N. The full InChI is InChI=1S/C29H28F4N4O2.C7H14/c1-18-3-10-26-35-19(2)27(37(26)17-18)28(38)34-16-20-4-9-25(24(30)15-20)36-13-11-22(12-14-36)21-5-7-23(8-6-21)39-29(31,32)33;1-4-6-7(3)5-2/h3-10,15,17,22H,11-14,16H2,1-2H3,(H,34,38);4,6-7H,5H2,1-3H3/b;6-4+.

What are the key properties of N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene?

N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene has a molecular weight of 638.75 g/mol, XLogP of 8.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene is sourced from PubChem (CID 145278565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).