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

C21H12ClN7S — CID 137042509

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

3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137042509) has the molecular formula C21H12ClN7S and a molecular weight of 429.90 g/mol. Its IUPAC name is 3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137042509
• Molecular Formula: C21H12ClN7S
• Molecular Weight: 429.90 g/mol
• Exact Mass: 429.06
• IUPAC Name: 3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: Clc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6ccncc6)nc45)[nH]c23)s1
• InChI: InChI=1S/C21H12ClN7S/c22-16-4-3-15(30-16)12-7-10-24-20-17(12)26-21(27-20)19-18-14(28-29-19)2-1-13(25-18)11-5-8-23-9-6-11/h1-10H,(H,28,29)(H,24,26,27)
• InChIKey: LAQZYSQVVUEPMS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.90
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine (CID 137042509) is 3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine is Clc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6ccncc6)nc45)[nH]c23)s1.

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

The InChIKey is LAQZYSQVVUEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN7S/c22-16-4-3-15(30-16)12-7-10-24-20-17(12)26-21(27-20)19-18-14(28-29-19)2-1-13(25-18)11-5-8-23-9-6-11/h1-10H,(H,28,29)(H,24,26,27).

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

3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 429.90 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137042509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).