N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H24N6OS — CID 55474324

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55474324) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55474324
• Molecular Formula: C24H24N6OS
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.17
• IUPAC Name: N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nc2ccccc2n1CCNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C24H24N6OS/c1-15(2)30-23-18(14-26-30)17(13-20(28-23)22-9-6-12-32-22)24(31)25-10-11-29-16(3)27-19-7-4-5-8-21(19)29/h4-9,12-15H,10-11H2,1-3H3,(H,25,31)
• InChIKey: HEYZXFQFZABRCZ-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55474324) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nc2ccccc2n1CCNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C.

What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is HEYZXFQFZABRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS/c1-15(2)30-23-18(14-26-30)17(13-20(28-23)22-9-6-12-32-22)24(31)25-10-11-29-16(3)27-19-7-4-5-8-21(19)29/h4-9,12-15H,10-11H2,1-3H3,(H,25,31).

What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55474324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).