6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

C28H28Cl2N4O2 — CID 67401709

About 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67401709) has the molecular formula C28H28Cl2N4O2 and a molecular weight of 523.46 g/mol. Its IUPAC name is 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 67401709
• Molecular Formula: C28H28Cl2N4O2
• Molecular Weight: 523.46 g/mol
• Exact Mass: 522.16
• IUPAC Name: 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
• InChI: InChI=1S/C28H28Cl2N4O2/c1-2-25-27(34-18-21(30)7-12-26(34)32-25)28(35)31-17-19-3-8-22(9-4-19)33-15-13-24(14-16-33)36-23-10-5-20(29)6-11-23/h3-12,18,24H,2,13-17H2,1H3,(H,31,35)
• InChIKey: RMMORUOREVVPDO-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.46
LogP ≤ 5	6.18
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 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 67401709) is 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(Oc3ccc(Cl)cc3)CC2)cc1.

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

The InChIKey is RMMORUOREVVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O2/c1-2-25-27(34-18-21(30)7-12-26(34)32-25)28(35)31-17-19-3-8-22(9-4-19)33-15-13-24(14-16-33)36-23-10-5-20(29)6-11-23/h3-12,18,24H,2,13-17H2,1H3,(H,31,35).

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

6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 523.46 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67401709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).