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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

C71H71BrClF3N20O6 — CID 160623715

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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 160623715) has the molecular formula C71H71BrClF3N20O6 and a molecular weight of 1472.83 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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.

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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
• PubChem CID: 160623715
• Molecular Formula: C71H71BrClF3N20O6
• Molecular Weight: 1472.83 g/mol
• Exact Mass: 1470.47
• 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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
• SMILES: COc1ccc(Br)c2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC(CNC(=O)C(F)(F)F)CC4)n4ccnc(N)c34)[nH]c12.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)ncnn34)CC2)cn1
• InChI: InChI=1S/C26H25ClN8O.C24H25F3N6O2.C21H21BrN6O3/c1-14-5-10-18(12-29-14)32-26(36)16-8-6-15(7-9-16)25-34-22(23-24(28)30-13-31-35(23)25)20-11-17-3-2-4-19(27)21(17)33-20;1-35-17-4-2-3-15-11-16(31-18(15)17)19-20-21(28)29-9-10-33(20)22(32-19)14-7-5-13(6-8-14)12-30-23(34)24(25,26)27;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/h2-5,10-13,15-16,33H,6-9H2,1H3,(H,32,36)(H2,28,30,31);2-4,9-11,13-14,31H,5-8,12H2,1H3,(H2,28,29)(H,30,34);6-11,26H,2-5H2,1H3,(H,29,30)(H2,23,24,25)
• InChIKey: RHAIZZFMCJADDI-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 368.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1472.83
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	9
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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?

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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (CID 160623715) 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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.

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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?

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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is COc1ccc(Br)c2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC(CNC(=O)C(F)(F)F)CC4)n4ccnc(N)c34)[nH]c12.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)ncnn34)CC2)cn1.

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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?

The InChIKey is RHAIZZFMCJADDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN8O.C24H25F3N6O2.C21H21BrN6O3/c1-14-5-10-18(12-29-14)32-26(36)16-8-6-15(7-9-16)25-34-22(23-24(28)30-13-31-35(23)25)20-11-17-3-2-4-19(27)21(17)33-20;1-35-17-4-2-3-15-11-16(31-18(15)17)19-20-21(28)29-9-10-33(20)22(32-19)14-7-5-13(6-8-14)12-30-23(34)24(25,26)27;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/h2-5,10-13,15-16,33H,6-9H2,1H3,(H,32,36)(H2,28,30,31);2-4,9-11,13-14,31H,5-8,12H2,1H3,(H2,28,29)(H,30,34);6-11,26H,2-5H2,1H3,(H,29,30)(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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?

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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 1472.83 g/mol, XLogP of 13.53, 13 rotatable bonds, 9 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;4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 160623715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).