N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide

C29H31ClN4O — CID 90479982

About N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90479982) has the molecular formula C29H31ClN4O and a molecular weight of 487.05 g/mol. Its IUPAC name is N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90479982
• Molecular Formula: C29H31ClN4O
• Molecular Weight: 487.05 g/mol
• Exact Mass: 486.22
• IUPAC Name: N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cc1
• InChI: InChI=1S/C29H31ClN4O/c1-3-26-28(34-17-12-20(2)18-27(34)32-26)29(35)31-19-21-4-10-25(11-5-21)33-15-13-23(14-16-33)22-6-8-24(30)9-7-22/h4-12,17-18,23H,3,13-16,19H2,1-2H3,(H,31,35)
• InChIKey: XVVDBJFHQDLDGH-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.05
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90479982) is N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cc1.

What is the InChIKey of N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is XVVDBJFHQDLDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O/c1-3-26-28(34-17-12-20(2)18-27(34)32-26)29(35)31-19-21-4-10-25(11-5-21)33-15-13-23(14-16-33)22-6-8-24(30)9-7-22/h4-12,17-18,23H,3,13-16,19H2,1-2H3,(H,31,35).

What are the key properties of N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide?

N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 487.05 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90479982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).