3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide

C28H23F3N8O — CID 136630244

About 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide

3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 136630244) has the molecular formula C28H23F3N8O and a molecular weight of 544.54 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide
• PubChem CID: 136630244
• Molecular Formula: C28H23F3N8O
• Molecular Weight: 544.54 g/mol
• Exact Mass: 544.19
• IUPAC Name: 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1-n1cc(C)n2nc(-c3cn[nH]c3)cc12
• InChI: InChI=1S/C28H23F3N8O/c1-16-4-5-22(11-25(16)38-15-17(2)39-26(38)12-24(36-39)20-13-33-34-14-20)35-27(40)19-8-21(28(29,30)31)10-23(9-19)37-7-6-32-18(37)3/h4-15H,1-3H3,(H,33,34)(H,35,40)
• InChIKey: OVLFXNAUKZFUKI-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 97.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.54
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide?

The IUPAC name of 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide (CID 136630244) is 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide.

What is the SMILES notation for 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide?

The canonical SMILES for 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1-n1cc(C)n2nc(-c3cn[nH]c3)cc12.

What is the InChIKey of 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide?

The InChIKey is OVLFXNAUKZFUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N8O/c1-16-4-5-22(11-25(16)38-15-17(2)39-26(38)12-24(36-39)20-13-33-34-14-20)35-27(40)19-8-21(28(29,30)31)10-23(9-19)37-7-6-32-18(37)3/h4-15H,1-3H3,(H,33,34)(H,35,40).

What are the key properties of 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide?

3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 544.54 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylimidazol-1-yl)-N-[4-methyl-3-[3-methyl-6-(1H-pyrazol-4-yl)imidazo[2,1-e]pyrazol-1-yl]phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 136630244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).