About [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate
[[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate (PubChem CID 157184327) has the molecular formula C155H163N31O35
and a molecular weight of 3020.19 g/mol. Its IUPAC name is [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate.
Frequently Asked Questions
What is the IUPAC name of [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate (CID 157184327) is [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate is CCCNC(=O)c1ccc(C)c(N(C(=O)OCOC(=O)Cc2ccc(O)cc2)c2ncnn3cc(C(=O)NCC)c(C)c23)c1.CCCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)Cc3ccc(O)cc3)c3cc(C(=O)NCC)ccc3C)c2c1C.CCNC(=O)c1ccc(C)c(N(C(=O)OCOC(=O)Cc2ccc(O)cc2)c2ncnn3cc(C(=O)NCC)c(C)c23)c1.CCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)Cc3ccc(O)cc3)c3cc(C(=O)NC4=NCC=C4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)Cc3ccc(O)cc3)c3cc(C(=O)NC4CC4)ccc3C)c2c1C.
What is the InChIKey of [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate?
The InChIKey is AOYBWUFPYFWAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O7.C31H32N6O7.2C31H34N6O7.C30H32N6O7/c1-4-33-31(43)24-16-38-28(20(24)3)29(35-17-36-38)39(32(44)46-18-45-27(41)14-21-8-11-23(40)12-9-21)25-15-22(10-7-19(25)2)30(42)37-26-6-5-13-34-26;1-4-32-30(41)24-15-36-27(19(24)3)28(33-16-34-36)37(25-14-21(8-5-18(25)2)29(40)35-22-9-10-22)31(42)44-17-43-26(39)13-20-6-11-23(38)12-7-20;1-5-13-33-29(40)22-10-7-19(3)25(15-22)37(31(42)44-18-43-26(39)14-21-8-11-23(38)12-9-21)28-27-20(4)24(30(41)32-6-2)16-36(27)35-17-34-28;1-5-13-33-30(41)24-16-36-27(20(24)4)28(34-17-35-36)37(25-15-22(10-7-19(25)3)29(40)32-6-2)31(42)44-18-43-26(39)14-21-8-11-23(38)12-9-21;1-5-31-28(39)21-10-7-18(3)24(14-21)36(30(41)43-17-42-25(38)13-20-8-11-22(37)12-9-20)27-26-19(4)23(29(40)32-6-2)15-35(26)34-16-33-27/h5-12,15-17,40H,4,13-14,18H2,1-3H3,(H,33,43)(H,34,37,42);5-8,11-12,14-16,22,38H,4,9-10,13,17H2,1-3H3,(H,32,41)(H,35,40);7-12,15-17,38H,5-6,13-14,18H2,1-4H3,(H,32,41)(H,33,40);7-12,15-17,38H,5-6,13-14,18H2,1-4H3,(H,32,40)(H,33,41);7-12,14-16,37H,5-6,13,17H2,1-4H3,(H,31,39)(H,32,40).
What are the key properties of [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate?
[[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate has a molecular weight of 3020.19 g/mol, XLogP of 18.72, 51 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 157184327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).