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

C26H23F3N6O2 — CID 170960217

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

2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 170960217) has the molecular formula C26H23F3N6O2 and a molecular weight of 508.50 g/mol. Its IUPAC name is 2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 170960217
• Molecular Formula: C26H23F3N6O2
• Molecular Weight: 508.50 g/mol
• Exact Mass: 508.18
• IUPAC Name: 2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: Cc1cc(-c2cncc3c2cnn3C)ccc1-n1c(=O)n(CC(=O)NCC(F)(F)F)c2cccc(C)c21
• InChI: InChI=1S/C26H23F3N6O2/c1-15-5-4-6-21-24(15)35(25(37)34(21)13-23(36)31-14-26(27,28)29)20-8-7-17(9-16(20)2)18-10-30-12-22-19(18)11-32-33(22)3/h4-12H,13-14H2,1-3H3,(H,31,36)
• InChIKey: JNMCPTGTZHNOCC-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 86.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.50
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 170960217) is 2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

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

The canonical SMILES for 2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(-c2cncc3c2cnn3C)ccc1-n1c(=O)n(CC(=O)NCC(F)(F)F)c2cccc(C)c21.

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

The InChIKey is JNMCPTGTZHNOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2/c1-15-5-4-6-21-24(15)35(25(37)34(21)13-23(36)31-14-26(27,28)29)20-8-7-17(9-16(20)2)18-10-30-12-22-19(18)11-32-33(22)3/h4-12H,13-14H2,1-3H3,(H,31,36).

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

2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 508.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methyl-3-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-2-oxobenzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 170960217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).