8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H30ClN5O2 — CID 90479944

About 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90479944) has the molecular formula C28H30ClN5O2 and a molecular weight of 504.03 g/mol. Its IUPAC name is 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90479944
• Molecular Formula: C28H30ClN5O2
• Molecular Weight: 504.03 g/mol
• Exact Mass: 503.21
• IUPAC Name: 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1
• InChI: InChI=1S/C28H30ClN5O2/c1-3-25-26(34-14-4-5-24(29)27(34)31-25)28(35)30-19-20-6-8-21(9-7-20)32-15-17-33(18-16-32)22-10-12-23(36-2)13-11-22/h4-14H,3,15-19H2,1-2H3,(H,30,35)
• InChIKey: JREWLGUCNMOWNG-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.03
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90479944) is 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1.

What is the InChIKey of 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is JREWLGUCNMOWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O2/c1-3-25-26(34-14-4-5-24(29)27(34)31-25)28(35)30-19-20-6-8-21(9-7-20)32-15-17-33(18-16-32)22-10-12-23(36-2)13-11-22/h4-14H,3,15-19H2,1-2H3,(H,30,35).

What are the key properties of 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 504.03 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90479944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).