3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one

C29H30FN3O2 — CID 42784065

About 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one

3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one (PubChem CID 42784065) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one
• PubChem CID: 42784065
• Molecular Formula: C29H30FN3O2
• Molecular Weight: 471.58 g/mol
• Exact Mass: 471.23
• IUPAC Name: 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one
• SMILES: CC1CCN(C(=O)CC(c2cccc(F)c2)c2cnc3c(OCc4ccccc4)cccn23)CC1
• InChI: InChI=1S/C29H30FN3O2/c1-21-12-15-32(16-13-21)28(34)18-25(23-9-5-10-24(30)17-23)26-19-31-29-27(11-6-14-33(26)29)35-20-22-7-3-2-4-8-22/h2-11,14,17,19,21,25H,12-13,15-16,18,20H2,1H3
• InChIKey: IXBTUESLGKJDCB-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 46.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.58
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one?

The IUPAC name of 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one (CID 42784065) is 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one.

What is the SMILES notation for 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one?

The canonical SMILES for 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one is CC1CCN(C(=O)CC(c2cccc(F)c2)c2cnc3c(OCc4ccccc4)cccn23)CC1.

What is the InChIKey of 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one?

The InChIKey is IXBTUESLGKJDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c1-21-12-15-32(16-13-21)28(34)18-25(23-9-5-10-24(30)17-23)26-19-31-29-27(11-6-14-33(26)29)35-20-22-7-3-2-4-8-22/h2-11,14,17,19,21,25H,12-13,15-16,18,20H2,1H3.

What are the key properties of 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one?

3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one has a molecular weight of 471.58 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 42784065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).