2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde

C32H34N6O2 — CID 167020687

About 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde

2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde (PubChem CID 167020687) has the molecular formula C32H34N6O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde
• PubChem CID: 167020687
• Molecular Formula: C32H34N6O2
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.27
• IUPAC Name: 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde
• SMILES: O=Cc1ccc2nc(CN3CCC(c4cccc(CCc5ccn6ccnc6c5)n4)CC3)n(CC3CCO3)c2c1
• InChI: InChI=1S/C32H34N6O2/c39-22-24-5-7-29-30(18-24)38(20-27-11-17-40-27)32(35-29)21-36-13-9-25(10-14-36)28-3-1-2-26(34-28)6-4-23-8-15-37-16-12-33-31(37)19-23/h1-3,5,7-8,12,15-16,18-19,22,25,27H,4,6,9-11,13-14,17,20-21H2
• InChIKey: VDMRDGWBKRIEFA-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 77.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde?

The IUPAC name of 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde (CID 167020687) is 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde.

What is the SMILES notation for 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde?

The canonical SMILES for 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde is O=Cc1ccc2nc(CN3CCC(c4cccc(CCc5ccn6ccnc6c5)n4)CC3)n(CC3CCO3)c2c1.

What is the InChIKey of 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde?

The InChIKey is VDMRDGWBKRIEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2/c39-22-24-5-7-29-30(18-24)38(20-27-11-17-40-27)32(35-29)21-36-13-9-25(10-14-36)28-3-1-2-26(34-28)6-4-23-8-15-37-16-12-33-31(37)19-23/h1-3,5,7-8,12,15-16,18-19,22,25,27H,4,6,9-11,13-14,17,20-21H2.

What are the key properties of 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde?

2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde has a molecular weight of 534.66 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carbaldehyde is sourced from PubChem (CID 167020687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).