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

C27H23N7OS — CID 137111083

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

5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137111083) has the molecular formula C27H23N7OS and a molecular weight of 493.60 g/mol. Its IUPAC name is 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137111083
• Molecular Formula: C27H23N7OS
• Molecular Weight: 493.60 g/mol
• Exact Mass: 493.17
• IUPAC Name: 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cc(-c2ccsc2)c2cc(-c3n[nH]c4cnc(-c5cncc(OC6CCNCC6)c5)cc34)[nH]c2n1
• InChI: InChI=1S/C27H23N7OS/c1-5-28-6-2-18(1)35-19-9-17(12-29-13-19)23-11-22-25(14-31-23)33-34-26(22)24-10-21-20(16-4-8-36-15-16)3-7-30-27(21)32-24/h3-4,7-15,18,28H,1-2,5-6H2,(H,30,32)(H,33,34)
• InChIKey: HQBPVRHIOYUPFF-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 104.40 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	493.60
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137111083) is 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2ccsc2)c2cc(-c3n[nH]c4cnc(-c5cncc(OC6CCNCC6)c5)cc34)[nH]c2n1.

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

The InChIKey is HQBPVRHIOYUPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7OS/c1-5-28-6-2-18(1)35-19-9-17(12-29-13-19)23-11-22-25(14-31-23)33-34-26(22)24-10-21-20(16-4-8-36-15-16)3-7-30-27(21)32-24/h3-4,7-15,18,28H,1-2,5-6H2,(H,30,32)(H,33,34).

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

5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 493.60 g/mol, XLogP of 5.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137111083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).