1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

C31H32ClF2N3O2 — CID 162068934

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 162068934) has the molecular formula C31H32ClF2N3O2 and a molecular weight of 552.07 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
• PubChem CID: 162068934
• Molecular Formula: C31H32ClF2N3O2
• Molecular Weight: 552.07 g/mol
• Exact Mass: 551.22
• IUPAC Name: 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(C)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C31H32ClF2N3O2/c1-3-27-30(37-20-24(32)9-15-29(37)35-27)28(38)14-6-21-4-10-25(11-5-21)36-18-16-23(17-19-36)22-7-12-26(13-8-22)39-31(2,33)34/h4-5,7-13,15,20,23H,3,6,14,16-19H2,1-2H3
• InChIKey: ZAUZGCDJIKVGJF-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.07
LogP ≤ 5	7.74
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-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (CID 162068934) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(C)(F)F)cc3)CC2)cc1.

What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The InChIKey is ZAUZGCDJIKVGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClF2N3O2/c1-3-27-30(37-20-24(32)9-15-29(37)35-27)28(38)14-6-21-4-10-25(11-5-21)36-18-16-23(17-19-36)22-7-12-26(13-8-22)39-31(2,33)34/h4-5,7-13,15,20,23H,3,6,14,16-19H2,1-2H3.

What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 552.07 g/mol, XLogP of 7.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 162068934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).