2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide

C29H31FN4O2 — CID 121442279

About 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 121442279) has the molecular formula C29H31FN4O2 and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 121442279
• Molecular Formula: C29H31FN4O2
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.24
• IUPAC Name: 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(F)cc3)CC2)cc1
• InChI: InChI=1S/C29H31FN4O2/c1-3-26-28(34-19-25(36-2)12-13-27(34)32-26)29(35)31-18-20-4-10-24(11-5-20)33-16-14-22(15-17-33)21-6-8-23(30)9-7-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,31,35)
• InChIKey: FWIDBMDOZVUVLG-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
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 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 121442279) is 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(F)cc3)CC2)cc1.

What is the InChIKey of 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is FWIDBMDOZVUVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2/c1-3-26-28(34-19-25(36-2)12-13-27(34)32-26)29(35)31-18-20-4-10-24(11-5-20)33-16-14-22(15-17-33)21-6-8-23(30)9-7-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,31,35).

What are the key properties of 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?

2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121442279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).