1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

C79H82N18O5 — CID 137032043

About 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (PubChem CID 137032043) has the molecular formula C79H82N18O5 and a molecular weight of 1363.65 g/mol. Its IUPAC name is 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• PubChem CID: 137032043
• Molecular Formula: C79H82N18O5
• Molecular Weight: 1363.65 g/mol
• Exact Mass: 1362.67
• IUPAC Name: 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• SMILES: COC(=O)C1CCC(c2nc(-c3cc4cccc(C)c4[nH]3)c3c(N)ncnn23)CC1.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Cc5ccccc5)CC4)n4ncnc(N)c34)[nH]c12.Nc1ncnn2c(C3CCC(CCC(=O)OCc4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C29H30N6O2.C28H28N6O.C22H24N6O2/c30-28-27-26(24-16-22-8-4-5-9-23(22)33-24)34-29(35(27)32-18-31-28)21-13-10-19(11-14-21)12-15-25(36)37-17-20-6-2-1-3-7-20;1-17-6-5-9-21-15-22(32-24(17)21)25-26-27(29)30-16-31-34(26)28(33-25)20-12-10-19(11-13-20)23(35)14-18-7-3-2-4-8-18;1-12-4-3-5-15-10-16(26-17(12)15)18-19-20(23)24-11-25-28(19)21(27-18)13-6-8-14(9-7-13)22(29)30-2/h1-9,16,18-19,21,33H,10-15,17H2,(H2,30,31,32);2-9,15-16,19-20,32H,10-14H2,1H3,(H2,29,30,31);3-5,10-11,13-14,26H,6-9H2,1-2H3,(H2,23,24,25)
• InChIKey: JYEKQGALPLUUMU-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 324.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1363.65
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The IUPAC name of 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (CID 137032043) is 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

What is the SMILES notation for 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The canonical SMILES for 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nc(-c3cc4cccc(C)c4[nH]3)c3c(N)ncnn23)CC1.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Cc5ccccc5)CC4)n4ncnc(N)c34)[nH]c12.Nc1ncnn2c(C3CCC(CCC(=O)OCc4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.

What is the InChIKey of 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The InChIKey is JYEKQGALPLUUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2.C28H28N6O.C22H24N6O2/c30-28-27-26(24-16-22-8-4-5-9-23(22)33-24)34-29(35(27)32-18-31-28)21-13-10-19(11-14-21)12-15-25(36)37-17-20-6-2-1-3-7-20;1-17-6-5-9-21-15-22(32-24(17)21)25-26-27(29)30-16-31-34(26)28(33-25)20-12-10-19(11-13-20)23(35)14-18-7-3-2-4-8-18;1-12-4-3-5-15-10-16(26-17(12)15)18-19-20(23)24-11-25-28(19)21(27-18)13-6-8-14(9-7-13)22(29)30-2/h1-9,16,18-19,21,33H,10-15,17H2,(H2,30,31,32);2-9,15-16,19-20,32H,10-14H2,1H3,(H2,29,30,31);3-5,10-11,13-14,26H,6-9H2,1-2H3,(H2,23,24,25).

What are the key properties of 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate has a molecular weight of 1363.65 g/mol, XLogP of 14.51, 15 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]-2-phenylethanone;benzyl 3-[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]propanoate;methyl 4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 137032043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).