2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C25H22F3N7O2 — CID 170960245

About 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 170960245) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 170960245
• Molecular Formula: C25H22F3N7O2
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.18
• IUPAC Name: 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: Cc1cc(-n2c(=O)n(CC(=O)NCC(F)(F)F)c3cccc(C)c32)cnc1-c1cncc2c1cnn2C
• InChI: InChI=1S/C25H22F3N7O2/c1-14-5-4-6-19-23(14)35(24(37)34(19)12-21(36)31-13-25(26,27)28)16-7-15(2)22(30-8-16)18-9-29-11-20-17(18)10-32-33(20)3/h4-11H,12-13H2,1-3H3,(H,31,36)
• InChIKey: PUEDSNAEJFBBEF-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 99.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 170960245) is 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(-n2c(=O)n(CC(=O)NCC(F)(F)F)c3cccc(C)c32)cnc1-c1cncc2c1cnn2C.

What is the InChIKey of 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is PUEDSNAEJFBBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c1-14-5-4-6-19-23(14)35(24(37)34(19)12-21(36)31-13-25(26,27)28)16-7-15(2)22(30-8-16)18-9-29-11-20-17(18)10-32-33(20)3/h4-11H,12-13H2,1-3H3,(H,31,36).

What are the key properties of 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?

2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 509.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methyl-3-[5-methyl-6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 170960245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).