3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C29H26N8O — CID 137145167

About 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137145167) has the molecular formula C29H26N8O and a molecular weight of 502.58 g/mol. Its IUPAC name is 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137145167
• Molecular Formula: C29H26N8O
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.22
• IUPAC Name: 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: c1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)nc1
• InChI: InChI=1S/C29H26N8O/c1-2-7-31-25(5-1)27-22-15-26(34-24(22)6-8-32-27)28-23-14-20(17-33-29(23)36-35-28)19-13-21(18-30-16-19)38-12-11-37-9-3-4-10-37/h1-2,5-8,13-18,34H,3-4,9-12H2,(H,33,35,36)
• InChIKey: NZWYRSRCFCKQAN-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 108.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 137145167) is 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is c1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)nc1.

What is the InChIKey of 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is NZWYRSRCFCKQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O/c1-2-7-31-25(5-1)27-22-15-26(34-24(22)6-8-32-27)28-23-14-20(17-33-29(23)36-35-28)19-13-21(18-30-16-19)38-12-11-37-9-3-4-10-37/h1-2,5-8,13-18,34H,3-4,9-12H2,(H,33,35,36).

What are the key properties of 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 502.58 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137145167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).