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

C64H61F6N17O6S2 — CID 159797337

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

4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (PubChem CID 159797337) has the molecular formula C64H61F6N17O6S2 and a molecular weight of 1342.43 g/mol. Its IUPAC name is 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• PubChem CID: 159797337
• Molecular Formula: C64H61F6N17O6S2
• Molecular Weight: 1342.43 g/mol
• Exact Mass: 1341.43
• IUPAC Name: 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• SMILES: COC(=O)C1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4s3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ncnc(N)c34)[nH]c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4s3)c12
• InChI: InChI=1S/C22H20F3N5O2S.C21H18F3N5O2S.C21H23N7O2/c1-32-21(31)12-7-5-11(6-8-12)20-29-16(17-19(26)27-10-28-30(17)20)15-9-13-3-2-4-14(18(13)33-15)22(23,24)25;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;1-30-15-4-2-3-13-9-14(26-16(13)15)17-18-19(22)24-10-25-28(18)21(27-17)12-7-5-11(6-8-12)20(23)29/h2-4,9-12H,5-8H2,1H3,(H2,26,27,28);1-3,8-11H,4-7H2,(H,30,31)(H2,25,26,27);2-4,9-12,26H,5-8H2,1H3,(H2,23,29)(H2,22,24,25)
• InChIKey: NJIMJVDTJRABPN-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 339.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1342.43
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The IUPAC name of 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (CID 159797337) is 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-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-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The canonical SMILES for 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4s3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ncnc(N)c34)[nH]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-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The InChIKey is NJIMJVDTJRABPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2S.C21H18F3N5O2S.C21H23N7O2/c1-32-21(31)12-7-5-11(6-8-12)20-29-16(17-19(26)27-10-28-30(17)20)15-9-13-3-2-4-14(18(13)33-15)22(23,24)25;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;1-30-15-4-2-3-13-9-14(26-16(13)15)17-18-19(22)24-10-25-28(18)21(27-17)12-7-5-11(6-8-12)20(23)29/h2-4,9-12H,5-8H2,1H3,(H2,26,27,28);1-3,8-11H,4-7H2,(H,30,31)(H2,25,26,27);2-4,9-12,26H,5-8H2,1H3,(H2,23,29)(H2,22,24,25).

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

4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate has a molecular weight of 1342.43 g/mol, XLogP of 12.64, 10 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-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 159797337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).