4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

C97H96F3N23O9S — CID 160732022

About 4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (PubChem CID 160732022) has the molecular formula C97H96F3N23O9S and a molecular weight of 1817.05 g/mol. Its IUPAC name is 4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-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-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• PubChem CID: 160732022
• Molecular Formula: C97H96F3N23O9S
• Molecular Weight: 1817.05 g/mol
• Exact Mass: 1815.74
• IUPAC Name: 4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• SMILES: C.CCOc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.COC(=O)C1CCC(c2nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c3c(N)ncnn23)CC1.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4s3)c12
• InChI: InChI=1S/C27H26N6O2.C26H24N6O2.C22H24N6O3.C21H18F3N5O2S.CH4/c1-35-27(34)18-12-10-17(11-13-18)26-32-23(24-25(28)29-15-30-33(24)26)21-14-19-8-5-9-20(22(19)31-21)16-6-3-2-4-7-16;27-24-23-22(20-13-18-7-4-8-19(21(18)30-20)15-5-2-1-3-6-15)31-25(32(23)29-14-28-24)16-9-11-17(12-10-16)26(33)34;1-2-31-16-5-3-4-14-10-15(26-17(14)16)18-19-20(23)24-11-25-28(19)21(27-18)12-6-8-13(9-7-12)22(29)30;22-21(23,24)13-3-1-2-12-8-14(32-17(12)13)15-16-18(25)26-9-27-29(16)19(28-15)10-4-6-11(7-5-10)20(30)31;/h2-9,14-15,17-18,31H,10-13H2,1H3,(H2,28,29,30);1-8,13-14,16-17,30H,9-12H2,(H,33,34)(H2,27,28,29);3-5,10-13,26H,2,6-9H2,1H3,(H,29,30)(H2,23,24,25);1-3,8-11H,4-7H2,(H,30,31)(H2,25,26,27);1H4
• InChIKey: RULSKRPUJWCUGO-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 471.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1817.05
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-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-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (CID 160732022) is 4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-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-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-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-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is C.CCOc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.COC(=O)C1CCC(c2nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c3c(N)ncnn23)CC1.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4s3)c12.

What is the InChIKey of 4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The InChIKey is RULSKRPUJWCUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C26H24N6O2.C22H24N6O3.C21H18F3N5O2S.CH4/c1-35-27(34)18-12-10-17(11-13-18)26-32-23(24-25(28)29-15-30-33(24)26)21-14-19-8-5-9-20(22(19)31-21)16-6-3-2-4-7-16;27-24-23-22(20-13-18-7-4-8-19(21(18)30-20)15-5-2-1-3-6-15)31-25(32(23)29-14-28-24)16-9-11-17(12-10-16)26(33)34;1-2-31-16-5-3-4-14-10-15(26-17(14)16)18-19-20(23)24-11-25-28(19)21(27-18)12-6-8-13(9-7-12)22(29)30;22-21(23,24)13-3-1-2-12-8-14(32-17(12)13)15-16-18(25)26-9-27-29(16)19(28-15)10-4-6-11(7-5-10)20(30)31;/h2-9,14-15,17-18,31H,10-13H2,1H3,(H2,28,29,30);1-8,13-14,16-17,30H,9-12H2,(H,33,34)(H2,27,28,29);3-5,10-13,26H,2,6-9H2,1H3,(H,29,30)(H2,23,24,25);1-3,8-11H,4-7H2,(H,30,31)(H2,25,26,27);1H4.

What are the key properties of 4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate has a molecular weight of 1817.05 g/mol, XLogP of 19.06, 16 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 160732022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).