5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine

C27H24N8OS — CID 126535141

About 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine

5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 126535141) has the molecular formula C27H24N8OS and a molecular weight of 508.61 g/mol. Its IUPAC name is 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 126535141
• Molecular Formula: C27H24N8OS
• Molecular Weight: 508.61 g/mol
• Exact Mass: 508.18
• IUPAC Name: 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1csc(-c2c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)nc34)cnc3nc[nH]c23)c1
• InChI: InChI=1S/C27H24N8OS/c1-2-8-35(7-1)9-10-36-18-12-17(13-28-14-18)20-5-6-21-25(32-20)24(34-33-21)19-15-29-27-26(30-16-31-27)23(19)22-4-3-11-37-22/h3-6,11-16H,1-2,7-10H2,(H,33,34)(H,29,30,31)
• InChIKey: IKGKRAHPUVUTEY-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 108.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.61
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine (CID 126535141) is 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine is c1csc(-c2c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)nc34)cnc3nc[nH]c23)c1.

What is the InChIKey of 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is IKGKRAHPUVUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8OS/c1-2-8-35(7-1)9-10-36-18-12-17(13-28-14-18)20-5-6-21-25(32-20)24(34-33-21)19-15-29-27-26(30-16-31-27)23(19)22-4-3-11-37-22/h3-6,11-16H,1-2,7-10H2,(H,33,34)(H,29,30,31).

What are the key properties of 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine?

5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 508.61 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 126535141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).