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

C25H22F3N7O2 — CID 170960207

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

2-[4-methyl-3-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 170960207) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is 2-[4-methyl-3-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-methyl-3-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• PubChem CID: 170960207
• Molecular Formula: C25H22F3N7O2
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.18
• IUPAC Name: 2-[4-methyl-3-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• SMILES: Cc1cccc2c1n(-c1ccc(-c3cncc4c3cnn4C)nc1)c(=O)n2CC(=O)N[C@@H](C)C(F)(F)F
• InChI: InChI=1S/C25H22F3N7O2/c1-14-5-4-6-20-23(14)35(24(37)34(20)13-22(36)32-15(2)25(26,27)28)16-7-8-19(30-9-16)17-10-29-12-21-18(17)11-31-33(21)3/h4-12,15H,13H2,1-3H3,(H,32,36)/t15-/m0/s1
• InChIKey: SBRPWFGEVBYCLT-HNNXBMFYSA-N
• XLogP: 3.51
• 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	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-methyl-3-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 170960207) is 2-[4-methyl-3-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

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

The canonical SMILES for 2-[4-methyl-3-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is Cc1cccc2c1n(-c1ccc(-c3cncc4c3cnn4C)nc1)c(=O)n2CC(=O)N[C@@H](C)C(F)(F)F.

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

The InChIKey is SBRPWFGEVBYCLT-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c1-14-5-4-6-20-23(14)35(24(37)34(20)13-22(36)32-15(2)25(26,27)28)16-7-8-19(30-9-16)17-10-29-12-21-18(17)11-31-33(21)3/h4-12,15H,13H2,1-3H3,(H,32,36)/t15-/m0/s1.

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

2-[4-methyl-3-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 509.49 g/mol, XLogP of 3.51, 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-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 170960207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).