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

C26H22N8OS — CID 137056956

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137056956) has the molecular formula C26H22N8OS and a molecular weight of 494.58 g/mol. Its IUPAC name is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137056956
• Molecular Formula: C26H22N8OS
• Molecular Weight: 494.58 g/mol
• Exact Mass: 494.16
• IUPAC Name: 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
• SMILES: c1csc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C26H22N8OS/c1-2-21(36-9-1)19-5-8-29-25-22(19)31-26(32-25)23-20-11-16(13-30-24(20)34-33-23)15-10-18(14-28-12-15)35-17-3-6-27-7-4-17/h1-2,5,8-14,17,27H,3-4,6-7H2,(H,29,31,32)(H,30,33,34)
• InChIKey: PNBQHFHGNVVOAU-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 117.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.58
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (CID 137056956) is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is c1csc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)c1.

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

The InChIKey is PNBQHFHGNVVOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8OS/c1-2-21(36-9-1)19-5-8-29-25-22(19)31-26(32-25)23-20-11-16(13-30-24(20)34-33-23)15-10-18(14-28-12-15)35-17-3-6-27-7-4-17/h1-2,5,8-14,17,27H,3-4,6-7H2,(H,29,31,32)(H,30,33,34).

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 494.58 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137056956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).