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

C28H36ClN5O — CID 155533904

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

6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155533904) has the molecular formula C28H36ClN5O and a molecular weight of 494.08 g/mol. Its IUPAC name is 6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 155533904
• Molecular Formula: C28H36ClN5O
• Molecular Weight: 494.08 g/mol
• Exact Mass: 493.26
• IUPAC Name: 6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(CC3CCCCC3)CC2)cc1
• InChI: InChI=1S/C28H36ClN5O/c1-2-25-27(34-20-23(29)10-13-26(34)31-25)28(35)30-18-21-8-11-24(12-9-21)33-16-14-32(15-17-33)19-22-6-4-3-5-7-22/h8-13,20,22H,2-7,14-19H2,1H3,(H,30,35)
• InChIKey: NNXTUAUQXQVDHA-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 52.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.08
LogP ≤ 5	5.18
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-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 155533904) is 6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(CC3CCCCC3)CC2)cc1.

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

The InChIKey is NNXTUAUQXQVDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN5O/c1-2-25-27(34-20-23(29)10-13-26(34)31-25)28(35)30-18-21-8-11-24(12-9-21)33-16-14-32(15-17-33)19-22-6-4-3-5-7-22/h8-13,20,22H,2-7,14-19H2,1H3,(H,30,35).

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

6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.08 g/mol, XLogP of 5.18, 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-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155533904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).