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

C28H24N6OS — CID 137040090

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

5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137040090) has the molecular formula C28H24N6OS and a molecular weight of 492.61 g/mol. Its IUPAC name is 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137040090
• Molecular Formula: C28H24N6OS
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.17
• IUPAC Name: 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
• SMILES: c1csc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)c1
• InChI: InChI=1S/C28H24N6OS/c1-3-21(26-5-2-10-36-26)22-13-25(32-24(22)4-1)27-23-12-18(15-31-28(23)34-33-27)17-11-20(16-30-14-17)35-19-6-8-29-9-7-19/h1-5,10-16,19,29,32H,6-9H2,(H,31,33,34)
• InChIKey: KPNDNDVQZFDHNW-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 91.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137040090) is 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1csc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)c1.

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

The InChIKey is KPNDNDVQZFDHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6OS/c1-3-21(26-5-2-10-36-26)22-13-25(32-24(22)4-1)27-23-12-18(15-31-28(23)34-33-27)17-11-20(16-30-14-17)35-19-6-8-29-9-7-19/h1-5,10-16,19,29,32H,6-9H2,(H,31,33,34).

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

5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 492.61 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).