7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine

C25H28N8 — CID 67740958

About 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine

7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine (PubChem CID 67740958) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine.

Molecular Properties

• Compound Name: 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine
• PubChem CID: 67740958
• Molecular Formula: C25H28N8
• Molecular Weight: 440.56 g/mol
• Exact Mass: 440.24
• IUPAC Name: 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine
• SMILES: Cc1ccnc2c1N(N)C(CC(C)C)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C25H28N8/c1-16(2)14-22-32(25-23(33(22)26)17(3)12-13-27-25)15-18-8-10-19(11-9-18)20-6-4-5-7-21(20)24-28-30-31-29-24/h4-13,16,22H,14-15,26H2,1-3H3,(H,28,29,30,31)
• InChIKey: PCFMXKUDWFALKV-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 99.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.56
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine?

The IUPAC name of 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine (CID 67740958) is 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine.

What is the SMILES notation for 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine?

The canonical SMILES for 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine is Cc1ccnc2c1N(N)C(CC(C)C)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine?

The InChIKey is PCFMXKUDWFALKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8/c1-16(2)14-22-32(25-23(33(22)26)17(3)12-13-27-25)15-18-8-10-19(11-9-18)20-6-4-5-7-21(20)24-28-30-31-29-24/h4-13,16,22H,14-15,26H2,1-3H3,(H,28,29,30,31).

What are the key properties of 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine?

7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine has a molecular weight of 440.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine is sourced from PubChem (CID 67740958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).