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

C30H21N5OS — CID 137115143

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

5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137115143) has the molecular formula C30H21N5OS and a molecular weight of 499.60 g/mol. Its IUPAC name is 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137115143
• Molecular Formula: C30H21N5OS
• Molecular Weight: 499.60 g/mol
• Exact Mass: 499.15
• IUPAC Name: 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1ccc(COc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccsc7)cccc6[nH]5)c4n3)c2)cc1
• InChI: InChI=1S/C30H21N5OS/c1-2-5-19(6-3-1)17-36-22-13-21(15-31-16-22)25-9-10-27-29(33-25)30(35-34-27)28-14-24-23(20-11-12-37-18-20)7-4-8-26(24)32-28/h1-16,18,32H,17H2,(H,34,35)
• InChIKey: RWLKGPLWWDICSC-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.60
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137115143) is 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine is c1ccc(COc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccsc7)cccc6[nH]5)c4n3)c2)cc1.

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

The InChIKey is RWLKGPLWWDICSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5OS/c1-2-5-19(6-3-1)17-36-22-13-21(15-31-16-22)25-9-10-27-29(33-25)30(35-34-27)28-14-24-23(20-11-12-37-18-20)7-4-8-26(24)32-28/h1-16,18,32H,17H2,(H,34,35).

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

5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 499.60 g/mol, XLogP of 7.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137115143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).