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

C31H31ClFN3O2 — CID 157274624

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

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 157274624) has the molecular formula C31H31ClFN3O2 and a molecular weight of 532.06 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[2-(4-fluorophenyl)acetyl]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-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]phenyl]propan-1-one
• PubChem CID: 157274624
• Molecular Formula: C31H31ClFN3O2
• Molecular Weight: 532.06 g/mol
• Exact Mass: 531.21
• IUPAC Name: 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]phenyl]propan-1-one
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(C(=O)Cc3ccc(F)cc3)CC2)cc1
• InChI: InChI=1S/C31H31ClFN3O2/c1-2-27-31(36-20-24(32)8-14-30(36)34-27)28(37)13-7-21-5-11-26(12-6-21)35-17-15-23(16-18-35)29(38)19-22-3-9-25(33)10-4-22/h3-6,8-12,14,20,23H,2,7,13,15-19H2,1H3
• InChIKey: AYYIKHUTDPWCIF-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 54.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.06
LogP ≤ 5	6.53
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-[2-(4-fluorophenyl)acetyl]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-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]phenyl]propan-1-one (CID 157274624) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[2-(4-fluorophenyl)acetyl]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-[2-(4-fluorophenyl)acetyl]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-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]phenyl]propan-1-one is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(C(=O)Cc3ccc(F)cc3)CC2)cc1.

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

The InChIKey is AYYIKHUTDPWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClFN3O2/c1-2-27-31(36-20-24(32)8-14-30(36)34-27)28(37)13-7-21-5-11-26(12-6-21)35-17-15-23(16-18-35)29(38)19-22-3-9-25(33)10-4-22/h3-6,8-12,14,20,23H,2,7,13,15-19H2,1H3.

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

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 532.06 g/mol, XLogP of 6.53, 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-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 157274624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).