About [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate
[5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate (PubChem CID 159614449) has the molecular formula C191H204F7N31O25
and a molecular weight of 3466.91 g/mol. Its IUPAC name is [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate.
Frequently Asked Questions
What is the IUPAC name of [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate?
The IUPAC name of [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate (CID 159614449) is [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate.
What is the SMILES notation for [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate?
The canonical SMILES for [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate is COc1cc(OC(=O)N(c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c2ccc(OC)cc2OC)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1.COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCN(C)CC4)c3)n2)c(OC)c1.COc1ccc(N(C(=O)Oc2cc(C(=O)Nc3cccc(C(C)(F)F)c3)ccc2C)c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1.COc1ccc(N(C(=O)Oc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)c(C(C)(F)F)c3)ccc2C)c2ccnc(Nc3ccccc3)n2)c(OC)c1.
What is the InChIKey of [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate?
The InChIKey is MNCLHSNECNENQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43F2N7O5.C41H42F2N6O5.C40H39F3N6O6.C36H43N7O5.C33H37N5O4/c1-27-11-14-31(45-38(51)28-12-13-29(33(23-28)41(2,42)43)26-49-21-19-48(3)20-22-49)24-35(27)55-40(52)50(34-16-15-32(53-4)25-36(34)54-5)37-17-18-44-39(47-37)46-30-9-7-6-8-10-30;1-27-9-12-29(39(50)45-31-8-6-7-30(25-31)41(2,42)43)24-35(27)54-40(51)49(34-16-15-33(52-4)26-36(34)53-5)38-17-18-44-37(46-38)23-28-10-13-32(14-11-28)48-21-19-47(3)20-22-48;1-47-16-18-48(19-17-47)30-10-8-26(9-11-30)20-36-44-15-14-37(46-36)49(34-13-12-31(52-2)25-35(34)54-4)39(51)55-33-22-27(21-32(24-33)53-3)38(50)45-29-7-5-6-28(23-29)40(41,42)43;1-25-7-6-8-26(2)34(25)48-36(44)43(31-10-9-30(45-4)24-32(31)46-5)33-11-12-37-35(39-33)38-27-21-28(41-15-13-40(3)14-16-41)23-29(22-27)42-17-19-47-20-18-42;1-23-7-6-8-24(2)32(23)42-33(39)38(28-14-13-27(40-4)22-29(28)41-5)31-15-16-34-30(35-31)21-25-9-11-26(12-10-25)37-19-17-36(3)18-20-37/h6-18,23-25H,19-22,26H2,1-5H3,(H,45,51)(H,44,46,47);6-18,24-26H,19-23H2,1-5H3,(H,45,50);5-15,21-25H,16-20H2,1-4H3,(H,45,50);6-12,21-24H,13-20H2,1-5H3,(H,37,38,39);6-16,22H,17-21H2,1-5H3.
What are the key properties of [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate?
[5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate has a molecular weight of 3466.91 g/mol, XLogP of 34.86, 51 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(1,1-difluoroethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-methylphenyl] N-(2-anilinopyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)carbamate;[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 159614449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).