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

C25H19N5S — CID 137280835

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

5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137280835) has the molecular formula C25H19N5S and a molecular weight of 421.53 g/mol. Its IUPAC name is 5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137280835
• Molecular Formula: C25H19N5S
• Molecular Weight: 421.53 g/mol
• Exact Mass: 421.14
• IUPAC Name: 5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)cc23)s1
• InChI: InChI=1S/C25H19N5S/c1-14-8-9-26-13-20(14)16-10-19-24(29-30-25(19)27-12-16)22-11-18-17(4-3-5-21(18)28-22)23-7-6-15(2)31-23/h3-13,28H,1-2H3,(H,27,29,30)
• InChIKey: ICFWQPWMLBJLCN-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.53
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137280835) is 5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine is Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)cc23)s1.

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

The InChIKey is ICFWQPWMLBJLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5S/c1-14-8-9-26-13-20(14)16-10-19-24(29-30-25(19)27-12-16)22-11-18-17(4-3-5-21(18)28-22)23-7-6-15(2)31-23/h3-13,28H,1-2H3,(H,27,29,30).

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

5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 421.53 g/mol, XLogP of 6.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137280835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).