2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine

C32H32N8O2 — CID 22100347

About 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine

2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 22100347) has the molecular formula C32H32N8O2 and a molecular weight of 560.66 g/mol. Its IUPAC name is 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
• PubChem CID: 22100347
• Molecular Formula: C32H32N8O2
• Molecular Weight: 560.66 g/mol
• Exact Mass: 560.26
• IUPAC Name: 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
• SMILES: CCCCc1nc2cc(-c3cccnc3)c(C(OC)OC)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C32H32N8O2/c1-4-5-12-28-34-27-18-26(23-9-8-17-33-19-23)29(32(41-2)42-3)35-31(27)40(28)20-21-13-15-22(16-14-21)24-10-6-7-11-25(24)30-36-38-39-37-30/h6-11,13-19,32H,4-5,12,20H2,1-3H3,(H,36,37,38,39)
• InChIKey: YRYGCSBGMBBJMB-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 116.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.66
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine?

The IUPAC name of 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine (CID 22100347) is 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine?

The canonical SMILES for 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine is CCCCc1nc2cc(-c3cccnc3)c(C(OC)OC)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine?

The InChIKey is YRYGCSBGMBBJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O2/c1-4-5-12-28-34-27-18-26(23-9-8-17-33-19-23)29(32(41-2)42-3)35-31(27)40(28)20-21-13-15-22(16-14-21)24-10-6-7-11-25(24)30-36-38-39-37-30/h6-11,13-19,32H,4-5,12,20H2,1-3H3,(H,36,37,38,39).

What are the key properties of 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine?

2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 560.66 g/mol, XLogP of 6.02, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 22100347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).