4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

C66H71BrClN19O6 — CID 159035424

About 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (PubChem CID 159035424) has the molecular formula C66H71BrClN19O6 and a molecular weight of 1341.78 g/mol. Its IUPAC name is 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-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-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• PubChem CID: 159035424
• Molecular Formula: C66H71BrClN19O6
• Molecular Weight: 1341.78 g/mol
• Exact Mass: 1339.47
• IUPAC Name: 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• SMILES: CCc1cccc2cc(-c3nc(C4CCC(CNC(C)=O)CC4)n4ncnc(N)c34)[nH]c12.COC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1ccc(Br)c2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12
• InChI: InChI=1S/C24H29N7O.C21H21BrN6O3.C21H21ClN6O2/c1-3-16-5-4-6-18-11-19(29-20(16)18)21-22-23(25)27-13-28-31(22)24(30-21)17-9-7-15(8-10-17)12-26-14(2)32;1-31-15-7-6-13(22)12-8-14(26-16(12)15)17-18-19(23)24-9-25-28(18)20(27-17)10-2-4-11(5-3-10)21(29)30;1-30-21(29)12-7-5-11(6-8-12)20-27-17(18-19(23)24-10-25-28(18)20)15-9-13-3-2-4-14(22)16(13)26-15/h4-6,11,13,15,17,29H,3,7-10,12H2,1-2H3,(H,26,32)(H2,25,27,28);6-11,26H,2-5H2,1H3,(H,29,30)(H2,23,24,25);2-4,9-12,26H,5-8H2,1H3,(H2,23,24,25)
• InChIKey: JVJYZPCQYBBJJA-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 356.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1341.78
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-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-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (CID 159035424) is 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-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-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-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-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is CCc1cccc2cc(-c3nc(C4CCC(CNC(C)=O)CC4)n4ncnc(N)c34)[nH]c12.COC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1ccc(Br)c2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.

What is the InChIKey of 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The InChIKey is JVJYZPCQYBBJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O.C21H21BrN6O3.C21H21ClN6O2/c1-3-16-5-4-6-18-11-19(29-20(16)18)21-22-23(25)27-13-28-31(22)24(30-21)17-9-7-15(8-10-17)12-26-14(2)32;1-31-15-7-6-13(22)12-8-14(26-16(12)15)17-18-19(23)24-9-25-28(18)20(27-17)10-2-4-11(5-3-10)21(29)30;1-30-21(29)12-7-5-11(6-8-12)20-27-17(18-19(23)24-10-25-28(18)20)15-9-13-3-2-4-14(22)16(13)26-15/h4-6,11,13,15,17,29H,3,7-10,12H2,1-2H3,(H,26,32)(H2,25,27,28);6-11,26H,2-5H2,1H3,(H,29,30)(H2,23,24,25);2-4,9-12,26H,5-8H2,1H3,(H2,23,24,25).

What are the key properties of 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate has a molecular weight of 1341.78 g/mol, XLogP of 11.77, 12 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;N-[[4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 159035424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).