N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid

C24H32N6O7 — CID 131716500

About N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid

N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid (PubChem CID 131716500) has the molecular formula C24H32N6O7 and a molecular weight of 516.56 g/mol. Its IUPAC name is N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid.

Molecular Properties

• Compound Name: N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid
• PubChem CID: 131716500
• Molecular Formula: C24H32N6O7
• Molecular Weight: 516.56 g/mol
• Exact Mass: 516.23
• IUPAC Name: N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid
• SMILES: CCOCCn1c(CN2CCN(CCNC(=O)c3ccoc3)CC2)nc2cccnc21.O=C(O)C(=O)O
• InChI: InChI=1S/C22H30N6O3.C2H2O4/c1-2-30-15-13-28-20(25-19-4-3-6-23-21(19)28)16-27-11-9-26(10-12-27)8-7-24-22(29)18-5-14-31-17-18;3-1(4)2(5)6/h3-6,14,17H,2,7-13,15-16H2,1H3,(H,24,29);(H,3,4)(H,5,6)
• InChIKey: JSBOQYOYASGLAL-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 163.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.56
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid?

The IUPAC name of N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid (CID 131716500) is N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid.

What is the SMILES notation for N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid?

The canonical SMILES for N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid is CCOCCn1c(CN2CCN(CCNC(=O)c3ccoc3)CC2)nc2cccnc21.O=C(O)C(=O)O.

What is the InChIKey of N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid?

The InChIKey is JSBOQYOYASGLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3.C2H2O4/c1-2-30-15-13-28-20(25-19-4-3-6-23-21(19)28)16-27-11-9-26(10-12-27)8-7-24-22(29)18-5-14-31-17-18;3-1(4)2(5)6/h3-6,14,17H,2,7-13,15-16H2,1H3,(H,24,29);(H,3,4)(H,5,6).

What are the key properties of N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid?

N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid has a molecular weight of 516.56 g/mol, XLogP of 0.76, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid is sourced from PubChem (CID 131716500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).