2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C29H33N5O2 — CID 166657173

About 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 166657173) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 166657173
• Molecular Formula: C29H33N5O2
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.26
• IUPAC Name: 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccccn2c1C(=O)NCC1=CC=C(N2CCN(c3ccc(OC)cc3)CC2)C=CC1
• InChI: InChI=1S/C29H33N5O2/c1-3-26-28(34-16-5-4-9-27(34)31-26)29(35)30-21-22-7-6-8-23(11-10-22)32-17-19-33(20-18-32)24-12-14-25(36-2)15-13-24/h4-6,8-16H,3,7,17-21H2,1-2H3,(H,30,35)
• InChIKey: KUZXRXBLGIRLOX-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	4.23
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'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 166657173) is 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccccn2c1C(=O)NCC1=CC=C(N2CCN(c3ccc(OC)cc3)CC2)C=CC1.

What is the InChIKey of 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is KUZXRXBLGIRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-3-26-28(34-16-5-4-9-27(34)31-26)29(35)30-21-22-7-6-8-23(11-10-22)32-17-19-33(20-18-32)24-12-14-25(36-2)15-13-24/h4-6,8-16H,3,7,17-21H2,1-2H3,(H,30,35).

What are the key properties of 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohepta-1,3,5-trien-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 166657173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).