5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid

C52H44BBrF9N19O4 — CID 159422189

About 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid

5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid (PubChem CID 159422189) has the molecular formula C52H44BBrF9N19O4 and a molecular weight of 1260.75 g/mol. Its IUPAC name is 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid.

Molecular Properties

• Compound Name: 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid
• PubChem CID: 159422189
• Molecular Formula: C52H44BBrF9N19O4
• Molecular Weight: 1260.75 g/mol
• Exact Mass: 1259.30
• IUPAC Name: 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid
• SMILES: CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cc3)c12.Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(=O)[nH]cnn12.Cc1nc(-c2cnn(C)c2Br)c2c(=O)[nH]cnn12.OB(O)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C18H16F3N7.C17H13F3N6O.C10H9BrN6O.C7H6BF3O2/c1-10-26-14(16-17(22-2)23-9-25-28(10)16)13-8-24-27(3)15(13)11-4-6-12(7-5-11)18(19,20)21;1-9-24-13(15-16(27)21-8-23-26(9)15)12-7-22-25(2)14(12)10-3-5-11(6-4-10)17(18,19)20;1-5-15-7(6-3-13-16(2)9(6)11)8-10(18)12-4-14-17(5)8;9-7(10,11)5-1-3-6(4-2-5)8(12)13/h4-9H,1-3H3,(H,22,23,25);3-8H,1-2H3,(H,21,23,27);3-4H,1-2H3,(H,12,14,18);1-4,12-13H
• InChIKey: LPXCIMNECPUDMQ-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 275.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.75
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid?

The IUPAC name of 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid (CID 159422189) is 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid.

What is the SMILES notation for 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid?

The canonical SMILES for 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid is CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cc3)c12.Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(=O)[nH]cnn12.Cc1nc(-c2cnn(C)c2Br)c2c(=O)[nH]cnn12.OB(O)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid?

The InChIKey is LPXCIMNECPUDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7.C17H13F3N6O.C10H9BrN6O.C7H6BF3O2/c1-10-26-14(16-17(22-2)23-9-25-28(10)16)13-8-24-27(3)15(13)11-4-6-12(7-5-11)18(19,20)21;1-9-24-13(15-16(27)21-8-23-26(9)15)12-7-22-25(2)14(12)10-3-5-11(6-4-10)17(18,19)20;1-5-15-7(6-3-13-16(2)9(6)11)8-10(18)12-4-14-17(5)8;9-7(10,11)5-1-3-6(4-2-5)8(12)13/h4-9H,1-3H3,(H,22,23,25);3-8H,1-2H3,(H,21,23,27);3-4H,1-2H3,(H,12,14,18);1-4,12-13H.

What are the key properties of 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid?

5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid has a molecular weight of 1260.75 g/mol, XLogP of 7.65, 7 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-bromo-1-methylpyrazol-4-yl)-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine;7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;[4-(trifluoromethyl)phenyl]boronic acid is sourced from PubChem (CID 159422189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).