4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane

C73H81Cl2F3N20O5 — CID 159936025

About 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane

4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane (PubChem CID 159936025) has the molecular formula C73H81Cl2F3N20O5 and a molecular weight of 1446.49 g/mol. Its IUPAC name is 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane.

Molecular Properties

• Compound Name: 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane
• PubChem CID: 159936025
• Molecular Formula: C73H81Cl2F3N20O5
• Molecular Weight: 1446.49 g/mol
• Exact Mass: 1444.60
• IUPAC Name: 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane
• SMILES: C.C.C.COc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ncnc(N)c34)[nH]c12.NC(=O)C1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cc(Cl)ccc5Cl)c4[nH]3)c12
• InChI: InChI=1S/C26H22Cl2N6O2.C23H27N7O2.C21H20F3N7O.3CH4/c27-16-8-9-19(28)18(11-16)17-3-1-2-15-10-20(32-21(15)17)22-23-24(29)30-12-31-34(23)25(33-22)13-4-6-14(7-5-13)26(35)36;1-29(2)23(31)14-9-7-13(8-10-14)22-28-19(20-21(24)25-12-26-30(20)22)16-11-15-5-4-6-17(32-3)18(15)27-16;22-21(23,24)13-3-1-2-12-8-14(29-15(12)13)16-17-18(25)27-9-28-31(17)20(30-16)11-6-4-10(5-7-11)19(26)32;;;/h1-3,8-14,32H,4-7H2,(H,35,36)(H2,29,30,31);4-6,11-14,27H,7-10H2,1-3H3,(H2,24,25,26);1-3,8-11,29H,4-7H2,(H2,26,32)(H2,25,27,28);3*1H4
• InChIKey: OAGJOXVUDFEUGV-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 364.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1446.49
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane (CID 159936025) is 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane.

What is the SMILES notation for 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane?

The canonical SMILES for 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane is C.C.C.COc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ncnc(N)c34)[nH]c12.NC(=O)C1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cc(Cl)ccc5Cl)c4[nH]3)c12.

What is the InChIKey of 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane?

The InChIKey is OAGJOXVUDFEUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N6O2.C23H27N7O2.C21H20F3N7O.3CH4/c27-16-8-9-19(28)18(11-16)17-3-1-2-15-10-20(32-21(15)17)22-23-24(29)30-12-31-34(23)25(33-22)13-4-6-14(7-5-13)26(35)36;1-29(2)23(31)14-9-7-13(8-10-14)22-28-19(20-21(24)25-12-26-30(20)22)16-11-15-5-4-6-17(32-3)18(15)27-16;22-21(23,24)13-3-1-2-12-8-14(29-15(12)13)16-17-18(25)27-9-28-31(17)20(30-16)11-6-4-10(5-7-11)19(26)32;;;/h1-3,8-14,32H,4-7H2,(H,35,36)(H2,29,30,31);4-6,11-14,27H,7-10H2,1-3H3,(H2,24,25,26);1-3,8-11,29H,4-7H2,(H2,26,32)(H2,25,27,28);3*1H4.

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

4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane has a molecular weight of 1446.49 g/mol, XLogP of 14.95, 11 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-[7-(2,5-dichlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methane is sourced from PubChem (CID 159936025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).