3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine

C23H16N6S — CID 136942394

About 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine

3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136942394) has the molecular formula C23H16N6S and a molecular weight of 408.49 g/mol. Its IUPAC name is 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136942394
• Molecular Formula: C23H16N6S
• Molecular Weight: 408.49 g/mol
• Exact Mass: 408.12
• IUPAC Name: 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)s1
• InChI: InChI=1S/C23H16N6S/c1-13-7-8-20(30-13)15-5-2-6-17-21(15)27-23(26-17)22-16-10-18(14-4-3-9-24-11-14)25-12-19(16)28-29-22/h2-12H,1H3,(H,26,27)(H,28,29)
• InChIKey: YVOLHCSDFIFFTN-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.49
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine (CID 136942394) is 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine is Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)s1.

What is the InChIKey of 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is YVOLHCSDFIFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6S/c1-13-7-8-20(30-13)15-5-2-6-17-21(15)27-23(26-17)22-16-10-18(14-4-3-9-24-11-14)25-12-19(16)28-29-22/h2-12H,1H3,(H,26,27)(H,28,29).

What are the key properties of 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 408.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136942394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).