4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

C72H75F4N19O6 — CID 160894325

About 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (PubChem CID 160894325) has the molecular formula C72H75F4N19O6 and a molecular weight of 1378.51 g/mol. Its IUPAC name is 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• PubChem CID: 160894325
• Molecular Formula: C72H75F4N19O6
• Molecular Weight: 1378.51 g/mol
• Exact Mass: 1377.61
• IUPAC Name: 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• SMILES: C.COC(=O)C1CCC(c2nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.COC(=O)C1CCC(c2nc(-c3ccc4ccn(C)c4c3)c3c(N)ncnn23)CC1.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccc(F)c5)CC4)n4ncnc(N)c34)[nH]c12
• InChI: InChI=1S/C27H26FN7O.C22H21F3N6O3.C22H24N6O2.CH4/c1-15-4-2-5-18-12-21(33-22(15)18)23-24-25(29)30-14-31-35(24)26(34-23)16-8-10-17(11-9-16)27(36)32-20-7-3-6-19(28)13-20;1-33-21(32)12-7-5-11(6-8-12)20-30-17(18-19(26)27-10-28-31(18)20)14-9-13-3-2-4-15(16(13)29-14)34-22(23,24)25;1-27-10-9-13-3-8-16(11-17(13)27)18-19-20(23)24-12-25-28(19)21(26-18)14-4-6-15(7-5-14)22(29)30-2;/h2-7,12-14,16-17,33H,8-11H2,1H3,(H,32,36)(H2,29,30,31);2-4,9-12,29H,5-8H2,1H3,(H2,26,27,28);3,8-12,14-15H,4-7H2,1-2H3,(H2,23,24,25);1H4
• InChIKey: SORBMSLFYXDYRF-UHFFFAOYSA-N
• XLogP: 13.36
• TPSA: 334.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1378.51
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The IUPAC name of 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (CID 160894325) is 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

What is the SMILES notation for 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The canonical SMILES for 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is C.COC(=O)C1CCC(c2nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.COC(=O)C1CCC(c2nc(-c3ccc4ccn(C)c4c3)c3c(N)ncnn23)CC1.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccc(F)c5)CC4)n4ncnc(N)c34)[nH]c12.

What is the InChIKey of 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The InChIKey is SORBMSLFYXDYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O.C22H21F3N6O3.C22H24N6O2.CH4/c1-15-4-2-5-18-12-21(33-22(15)18)23-24-25(29)30-14-31-35(24)26(34-23)16-8-10-17(11-9-16)27(36)32-20-7-3-6-19(28)13-20;1-33-21(32)12-7-5-11(6-8-12)20-30-17(18-19(26)27-10-28-31(18)20)14-9-13-3-2-4-15(16(13)29-14)34-22(23,24)25;1-27-10-9-13-3-8-16(11-17(13)27)18-19-20(23)24-12-25-28(19)21(26-18)14-4-6-15(7-5-14)22(29)30-2;/h2-7,12-14,16-17,33H,8-11H2,1H3,(H,32,36)(H2,29,30,31);2-4,9-12,29H,5-8H2,1H3,(H2,26,27,28);3,8-12,14-15H,4-7H2,1-2H3,(H2,23,24,25);1H4.

What are the key properties of 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate has a molecular weight of 1378.51 g/mol, XLogP of 13.36, 11 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 160894325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).