4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane

C84H89ClF3N27O8 — CID 159057715

About 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane (PubChem CID 159057715) has the molecular formula C84H89ClF3N27O8 and a molecular weight of 1697.26 g/mol. Its IUPAC name is 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane.

Molecular Properties

• Compound Name: 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
• PubChem CID: 159057715
• Molecular Formula: C84H89ClF3N27O8
• Molecular Weight: 1697.26 g/mol
• Exact Mass: 1695.70
• IUPAC Name: 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
• SMILES: C.CNC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CCN(C(N)=O)CC4)n4ncnc(N)c34)[nH]c12.Cn1ccc2ccc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)cc21.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c12
• InChI: InChI=1S/C21H22ClN7O.C21H19F3N6O3.C21H22N6O2.C20H22N8O2.CH4/c1-24-21(30)12-7-5-11(6-8-12)20-28-17(18-19(23)25-10-26-29(18)20)15-9-13-3-2-4-14(22)16(13)27-15;22-21(23,24)33-14-3-1-2-12-8-13(28-15(12)14)16-17-18(25)26-9-27-30(17)19(29-16)10-4-6-11(7-5-10)20(31)32;1-26-9-8-12-2-7-15(10-16(12)26)17-18-19(22)23-11-24-27(18)20(25-17)13-3-5-14(6-4-13)21(28)29;1-30-14-4-2-3-12-9-13(25-15(12)14)16-17-18(21)23-10-24-28(17)19(26-16)11-5-7-27(8-6-11)20(22)29;/h2-4,9-12,27H,5-8H2,1H3,(H,24,30)(H2,23,25,26);1-3,8-11,28H,4-7H2,(H,31,32)(H2,25,26,27);2,7-11,13-14H,3-6H2,1H3,(H,28,29)(H2,22,23,24);2-4,9-11,25H,5-8H2,1H3,(H2,22,29)(H2,21,23,24);1H4
• InChIKey: JYBMHBCFQYZBGN-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 497.19 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1697.26
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane?

The IUPAC name of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane (CID 159057715) is 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane.

What is the SMILES notation for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane?

The canonical SMILES for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane is C.CNC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CCN(C(N)=O)CC4)n4ncnc(N)c34)[nH]c12.Cn1ccc2ccc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)cc21.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c12.

What is the InChIKey of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane?

The InChIKey is JYBMHBCFQYZBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN7O.C21H19F3N6O3.C21H22N6O2.C20H22N8O2.CH4/c1-24-21(30)12-7-5-11(6-8-12)20-28-17(18-19(23)25-10-26-29(18)20)15-9-13-3-2-4-14(22)16(13)27-15;22-21(23,24)33-14-3-1-2-12-8-13(28-15(12)14)16-17-18(25)26-9-27-30(17)19(29-16)10-4-6-11(7-5-10)20(31)32;1-26-9-8-12-2-7-15(10-16(12)26)17-18-19(22)23-11-24-27(18)20(25-17)13-3-5-14(6-4-13)21(28)29;1-30-14-4-2-3-12-9-13(25-15(12)14)16-17-18(21)23-10-24-28(17)19(26-16)11-5-7-27(8-6-11)20(22)29;/h2-4,9-12,27H,5-8H2,1H3,(H,24,30)(H2,23,25,26);1-3,8-11,28H,4-7H2,(H,31,32)(H2,25,26,27);2,7-11,13-14H,3-6H2,1H3,(H,28,29)(H2,22,23,24);2-4,9-11,25H,5-8H2,1H3,(H2,22,29)(H2,21,23,24);1H4.

What are the key properties of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane?

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane has a molecular weight of 1697.26 g/mol, XLogP of 13.62, 13 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane is sourced from PubChem (CID 159057715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).