2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine

C26H24N6 — CID 19892174

About 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine

2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine (PubChem CID 19892174) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine
• PubChem CID: 19892174
• Molecular Formula: C26H24N6
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.21
• IUPAC Name: 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine
• SMILES: Cc1cc(C)c2cc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2n1
• InChI: InChI=1S/C26H24N6/c1-16-13-17(2)27-26-23(16)14-24(20-11-12-20)32(26)15-18-7-9-19(10-8-18)21-5-3-4-6-22(21)25-28-30-31-29-25/h3-10,13-14,20H,11-12,15H2,1-2H3,(H,28,29,30,31)
• InChIKey: FOTWJBRHCSDFDT-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine (CID 19892174) is 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine is Cc1cc(C)c2cc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2n1.

What is the InChIKey of 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine?

The InChIKey is FOTWJBRHCSDFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6/c1-16-13-17(2)27-26-23(16)14-24(20-11-12-20)32(26)15-18-7-9-19(10-8-18)21-5-3-4-6-22(21)25-28-30-31-29-25/h3-10,13-14,20H,11-12,15H2,1-2H3,(H,28,29,30,31).

What are the key properties of 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine?

2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 420.52 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 19892174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).