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

C28H28ClFN4O2 — CID 53466679

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

7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53466679) has the molecular formula C28H28ClFN4O2 and a molecular weight of 507.01 g/mol. Its IUPAC name is 7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 53466679
• Molecular Formula: C28H28ClFN4O2
• Molecular Weight: 507.01 g/mol
• Exact Mass: 506.19
• IUPAC Name: 7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(Oc3ccc(F)cc3)CC2)cc1
• InChI: InChI=1S/C28H28ClFN4O2/c1-2-25-27(34-16-11-20(29)17-26(34)32-25)28(35)31-18-19-3-7-22(8-4-19)33-14-12-24(13-15-33)36-23-9-5-21(30)6-10-23/h3-11,16-17,24H,2,12-15,18H2,1H3,(H,31,35)
• InChIKey: RBNWUHDRNSIEKE-UHFFFAOYSA-N
• XLogP: 5.67
• 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	507.01
LogP ≤ 5	5.67
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 7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53466679) is 7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(Oc3ccc(F)cc3)CC2)cc1.

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

The InChIKey is RBNWUHDRNSIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN4O2/c1-2-25-27(34-16-11-20(29)17-26(34)32-25)28(35)31-18-19-3-7-22(8-4-19)33-14-12-24(13-15-33)36-23-9-5-21(30)6-10-23/h3-11,16-17,24H,2,12-15,18H2,1H3,(H,31,35).

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

7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 507.01 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53466679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).