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

C27H24N8S — CID 145035022

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

2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 145035022) has the molecular formula C27H24N8S and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 145035022
• Molecular Formula: C27H24N8S
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.18
• IUPAC Name: 2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
• SMILES: c1cc(-c2ccsc2)c2[nH]c(-c3n[nH]c4cnc(-c5cncc(CC6CCNCC6)c5)cc34)nc2n1
• InChI: InChI=1S/C27H24N8S/c1-5-28-6-2-16(1)9-17-10-19(13-29-12-17)22-11-21-23(14-31-22)34-35-25(21)27-32-24-20(18-4-8-36-15-18)3-7-30-26(24)33-27/h3-4,7-8,10-16,28H,1-2,5-6,9H2,(H,34,35)(H,30,32,33)
• InChIKey: HPVBEKBWNCDRFS-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• 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	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 145035022) is 2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is c1cc(-c2ccsc2)c2[nH]c(-c3n[nH]c4cnc(-c5cncc(CC6CCNCC6)c5)cc34)nc2n1.

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

The InChIKey is HPVBEKBWNCDRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8S/c1-5-28-6-2-16(1)9-17-10-19(13-29-12-17)22-11-21-23(14-31-22)34-35-25(21)27-32-24-20(18-4-8-36-15-18)3-7-30-26(24)33-27/h3-4,7-8,10-16,28H,1-2,5-6,9H2,(H,34,35)(H,30,32,33).

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

2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 492.61 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145035022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).