5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C28H39N5O4 — CID 57400557

About 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 57400557) has the molecular formula C28H39N5O4 and a molecular weight of 509.65 g/mol. Its IUPAC name is 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 57400557
• Molecular Formula: C28H39N5O4
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.30
• IUPAC Name: 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1
• InChI: InChI=1S/C28H39N5O4/c1-3-36-18-19-37-22-23-10-13-33-26(20-23)24(21-30-33)28(34)29-11-6-7-12-31-14-16-32(17-15-31)25-8-4-5-9-27(25)35-2/h4-5,8-10,13,20-21H,3,6-7,11-12,14-19,22H2,1-2H3,(H,29,34)
• InChIKey: WCIPIDQYCIFSCP-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 80.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 57400557) is 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1.

What is the InChIKey of 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WCIPIDQYCIFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O4/c1-3-36-18-19-37-22-23-10-13-33-26(20-23)24(21-30-33)28(34)29-11-6-7-12-31-14-16-32(17-15-31)25-8-4-5-9-27(25)35-2/h4-5,8-10,13,20-21H,3,6-7,11-12,14-19,22H2,1-2H3,(H,29,34).

What are the key properties of 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 3.23, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-ethoxyethoxymethyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 57400557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).