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

C27H23N7OS — CID 137040092

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

5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137040092) 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[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137040092
• 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[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)nc34)cc2c(-c2ccsc2)n1
• InChI: InChI=1S/C27H23N7OS/c1-2-23-26(32-21(1)17-11-19(14-29-13-17)35-18-3-7-28-8-4-18)27(34-33-23)24-12-20-22(31-24)5-9-30-25(20)16-6-10-36-15-16/h1-2,5-6,9-15,18,28,31H,3-4,7-8H2,(H,33,34)
• InChIKey: JCHFOBVWTZVNRP-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[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137040092) is 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is c1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)nc34)cc2c(-c2ccsc2)n1.

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

The InChIKey is JCHFOBVWTZVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7OS/c1-2-23-26(32-21(1)17-11-19(14-29-13-17)35-18-3-7-28-8-4-18)27(34-33-23)24-12-20-22(31-24)5-9-30-25(20)16-6-10-36-15-16/h1-2,5-6,9-15,18,28,31H,3-4,7-8H2,(H,33,34).

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

5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]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[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137040092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).