1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

C31H32F3N3O2 — CID 167675367

About 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 167675367) has the molecular formula C31H32F3N3O2 and a molecular weight of 535.61 g/mol. Its IUPAC name is 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
• PubChem CID: 167675367
• Molecular Formula: C31H32F3N3O2
• Molecular Weight: 535.61 g/mol
• Exact Mass: 535.24
• IUPAC Name: 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
• SMILES: CCc1nc2cc(C)ccn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C31H32F3N3O2/c1-3-27-30(37-19-14-21(2)20-29(37)35-27)28(38)13-6-22-4-9-25(10-5-22)36-17-15-24(16-18-36)23-7-11-26(12-8-23)39-31(32,33)34/h4-5,7-12,14,19-20,24H,3,6,13,15-18H2,1-2H3
• InChIKey: USPWRCIRYOMEOQ-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.61
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The IUPAC name of 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (CID 167675367) is 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is CCc1nc2cc(C)ccn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.

What is the InChIKey of 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The InChIKey is USPWRCIRYOMEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O2/c1-3-27-30(37-19-14-21(2)20-29(37)35-27)28(38)13-6-22-4-9-25(10-5-22)36-17-15-24(16-18-36)23-7-11-26(12-8-23)39-31(32,33)34/h4-5,7-12,14,19-20,24H,3,6,13,15-18H2,1-2H3.

What are the key properties of 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 535.61 g/mol, XLogP of 7.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 167675367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).