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

C27H24N8S — CID 137110248

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

2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 137110248) has the molecular formula C27H24N8S and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
• PubChem CID: 137110248
• Molecular Formula: C27H24N8S
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.18
• IUPAC Name: 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
• SMILES: c1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)nc23)c1
• InChI: InChI=1S/C27H24N8S/c1-2-8-35(9-3-1)16-17-11-18(13-28-12-17)20-6-7-21-25(30-20)26(34-33-21)27-31-22-15-29-14-19(24(22)32-27)23-5-4-10-36-23/h4-7,10-15H,1-3,8-9,16H2,(H,31,32)(H,33,34)
• InChIKey: NXVZVTRUHMVNDV-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine (CID 137110248) is 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine is c1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)nc23)c1.

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

The InChIKey is NXVZVTRUHMVNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8S/c1-2-8-35(9-3-1)16-17-11-18(13-28-12-17)20-6-7-21-25(30-20)26(34-33-21)27-31-22-15-29-14-19(24(22)32-27)23-5-4-10-36-23/h4-7,10-15H,1-3,8-9,16H2,(H,31,32)(H,33,34).

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

2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 492.61 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137110248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).