2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

C26H24F3N9 — CID 177142099

About 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 177142099) has the molecular formula C26H24F3N9 and a molecular weight of 519.54 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 177142099
• Molecular Formula: C26H24F3N9
• Molecular Weight: 519.54 g/mol
• Exact Mass: 519.21
• IUPAC Name: 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
• SMILES: CCc1ncnc(C2CC2)c1-c1nc(NCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2nccn2n1
• InChI: InChI=1S/C26H24F3N9/c1-3-18-20(21(16-8-9-16)33-14-32-18)22-35-23(25-30-10-11-38(25)36-22)31-12-15-4-6-17(7-5-15)24-34-19(13-37(24)2)26(27,28)29/h4-7,10-11,13-14,16H,3,8-9,12H2,1-2H3,(H,31,35,36)
• InChIKey: KAQGJFNJMVGLMZ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 98.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.54
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 177142099) is 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is CCc1ncnc(C2CC2)c1-c1nc(NCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2nccn2n1.

What is the InChIKey of 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is KAQGJFNJMVGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N9/c1-3-18-20(21(16-8-9-16)33-14-32-18)22-35-23(25-30-10-11-38(25)36-22)31-12-15-4-6-17(7-5-15)24-34-19(13-37(24)2)26(27,28)29/h4-7,10-11,13-14,16H,3,8-9,12H2,1-2H3,(H,31,35,36).

What are the key properties of 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 519.54 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 177142099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).