3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

C27H23N9 — CID 137041908

About 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137041908) has the molecular formula C27H23N9 and a molecular weight of 473.54 g/mol. Its IUPAC name is 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137041908
• Molecular Formula: C27H23N9
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.21
• IUPAC Name: 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)[nH]c23)ccn1
• InChI: InChI=1S/C27H23N9/c1-2-12-36(11-1)16-17-13-19(15-29-14-17)21-3-4-22-24(31-21)25(35-34-22)27-32-23-20(7-10-30-26(23)33-27)18-5-8-28-9-6-18/h3-10,13-15H,1-2,11-12,16H2,(H,34,35)(H,30,32,33)
• InChIKey: DWRUCAZXBWGBOD-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 112.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 137041908) is 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)[nH]c23)ccn1.

What is the InChIKey of 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is DWRUCAZXBWGBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9/c1-2-12-36(11-1)16-17-13-19(15-29-14-17)21-3-4-22-24(31-21)25(35-34-22)27-32-23-20(7-10-30-26(23)33-27)18-5-8-28-9-6-18/h3-10,13-15H,1-2,11-12,16H2,(H,34,35)(H,30,32,33).

What are the key properties of 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 473.54 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137041908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).