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

C26H21ClN8OS — CID 137110474

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

3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137110474) has the molecular formula C26H21ClN8OS and a molecular weight of 529.03 g/mol. Its IUPAC name is 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137110474
• Molecular Formula: C26H21ClN8OS
• Molecular Weight: 529.03 g/mol
• Exact Mass: 528.12
• IUPAC Name: 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: Clc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)nc45)nc23)s1
• InChI: InChI=1S/C26H21ClN8OS/c27-22-4-3-21(37-22)17-12-30-13-20-23(17)33-26(32-20)25-24-19(34-35-25)2-1-18(31-24)14-9-16(11-29-10-14)36-15-5-7-28-8-6-15/h1-4,9-13,15,28H,5-8H2,(H,32,33)(H,34,35)
• InChIKey: NDILUSAWIYAVGG-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 117.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.03
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 137110474) is 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is Clc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)nc45)nc23)s1.

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

The InChIKey is NDILUSAWIYAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN8OS/c27-22-4-3-21(37-22)17-12-30-13-20-23(17)33-26(32-20)25-24-19(34-35-25)2-1-18(31-24)14-9-16(11-29-10-14)36-15-5-7-28-8-6-15/h1-4,9-13,15,28H,5-8H2,(H,32,33)(H,34,35).

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

3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 529.03 g/mol, XLogP of 5.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137110474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).