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

C22H20N6S — CID 136943095

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

5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136943095) has the molecular formula C22H20N6S and a molecular weight of 400.51 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136943095
• Molecular Formula: C22H20N6S
• Molecular Weight: 400.51 g/mol
• Exact Mass: 400.15
• IUPAC Name: 5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1csc(-c2cccc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)c1
• InChI: InChI=1S/C22H20N6S/c1-3-14(19-5-2-10-29-19)20-16(4-1)25-22(26-20)21-15-11-17(13-6-8-23-9-7-13)24-12-18(15)27-28-21/h1-5,10-13,23H,6-9H2,(H,25,26)(H,27,28)
• InChIKey: BNRCWBOUACOPLR-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.51
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 136943095) is 5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine is c1csc(-c2cccc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)c1.

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

The InChIKey is BNRCWBOUACOPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6S/c1-3-14(19-5-2-10-29-19)20-16(4-1)25-22(26-20)21-15-11-17(13-6-8-23-9-7-13)24-12-18(15)27-28-21/h1-5,10-13,23H,6-9H2,(H,25,26)(H,27,28).

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

5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 400.51 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136943095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).