N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide

C131H171BrClFN40O12S4 — CID 167651387

IUPACN-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
SMILESCCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3N(C)S(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(C)c(Nc3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(Cl)c(N(C)c3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(F)c(Nc3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C33H43BrN10O3S.C33H43ClN10O3S.C33H44N10O3S.C32H41FN10O3S/c1-6-22-19-27(29(47-4)20-28(22)44-13-9-23(10-14-44)43-17-15-41(2)16-18-43)39-33-37-21-24(34)32(40-33)38-26-8-7-25-30(36-12-11-35-25)31(26)42(3)48(5,45)46;1-6-22-19-26(29(47-4)20-28(22)44-13-9-23(10-14-44)43-17-15-41(2)16-18-43)38-33-37-21-24(34)32(39-33)42(3)27-8-7-25-30(36-12-11-35-25)31(27)40-48(5,45)46;1-6-23-19-27(29(46-4)20-28(23)43-13-9-24(10-14-43)42-17-15-41(3)16-18-42)38-33-36-21-22(2)32(39-33)37-26-8-7-25-30(35-12-11-34-25)31(26)40-47(5,44)45;1-5-21-18-26(28(46-3)19-27(21)43-12-8-22(9-13-43)42-16-14-41(2)15-17-42)38-32-36-20-23(33)31(39-32)37-25-7-6-24-29(35-11-10-34-24)30(25)40-47(4,44)45/h7-8,11-12,19-21,23H,6,9-10,13-18H2,1-5H3,(H2,37,38,39,40);7-8,11-12,19-21,23,40H,6,9-10,13-18H2,1-5H3,(H,37,38,39);7-8,11-12,19-21,24,40H,6,9-10,13-18H2,1-5H3,(H2,36,37,38,39);6-7,10-11,18-20,22,40H,5,8-9,12-17H2,1-4H3,(H2,36,37,38,39)
InChIKeyQQBAXKBGXLEENX-UHFFFAOYSA-N
MW2760.70 g/mol
LogP18.17
Rot. Bonds40

About N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide

N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide (PubChem CID 167651387) has the molecular formula C131H171BrClFN40O12S4 and a molecular weight of 2760.70 g/mol. Its IUPAC name is N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
PubChem CID167651387
Molecular FormulaC131H171BrClFN40O12S4
Molecular Weight2760.70 g/mol
Exact Mass2757.17
IUPAC NameN-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
SMILESCCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3N(C)S(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(C)c(Nc3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(Cl)c(N(C)c3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(F)c(Nc3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C33H43BrN10O3S.C33H43ClN10O3S.C33H44N10O3S.C32H41FN10O3S/c1-6-22-19-27(29(47-4)20-28(22)44-13-9-23(10-14-44)43-17-15-41(2)16-18-43)39-33-37-21-24(34)32(40-33)38-26-8-7-25-30(36-12-11-35-25)31(26)42(3)48(5,45)46;1-6-22-19-26(29(47-4)20-28(22)44-13-9-23(10-14-44)43-17-15-41(2)16-18-43)38-33-37-21-24(34)32(39-33)42(3)27-8-7-25-30(36-12-11-35-25)31(27)40-48(5,45)46;1-6-23-19-27(29(46-4)20-28(23)43-13-9-24(10-14-43)42-17-15-41(3)16-18-42)38-33-36-21-22(2)32(39-33)37-26-8-7-25-30(35-12-11-34-25)31(26)40-47(5,44)45;1-5-21-18-26(28(46-3)19-27(21)43-12-8-22(9-13-43)42-16-14-41(2)15-17-42)38-32-36-20-23(33)31(39-32)37-25-7-6-24-29(35-11-10-34-24)30(25)40-47(4,44)45/h7-8,11-12,19-21,23H,6,9-10,13-18H2,1-5H3,(H2,37,38,39,40);7-8,11-12,19-21,23,40H,6,9-10,13-18H2,1-5H3,(H,37,38,39);7-8,11-12,19-21,24,40H,6,9-10,13-18H2,1-5H3,(H2,36,37,38,39);6-7,10-11,18-20,22,40H,5,8-9,12-17H2,1-4H3,(H2,36,37,38,39)
InChIKeyQQBAXKBGXLEENX-UHFFFAOYSA-N
XLogP18.17
TPSA545.38 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds40
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002760.70
LogP ≤ 518.17
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Analyze N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide with MolForge

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Related Compounds

N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
CID 164871093
N-[6-[[5-bromo-2-[5-(cyclopropylmethyl)-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide
CID 169278205
N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylcyclopropanesulfonamide
CID 169278195
N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
CID 164871089
N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(2-methylprop-1-enyl)pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide
CID 168834001
N-[6-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide
CID 169278050
N-[6-[[5-chloro-2-[5-chloro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
CID 170547382
N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-cyclopropylmethanesulfonamide
CID 169278204
6-N-[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-5-N-cyclopropylsulfanyl-5-N-methylquinoxaline-5,6-diamine
CID 170249177
N-[6-[[5-chloro-2-[4-[4-(dimethylamino)piperidin-1-yl]-5-ethyl-2-methoxyanilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
CID 165394497
N-[6-[[5-bromo-2-[4-[4-[4-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperazin-1-yl]piperidin-1-yl]-5-ethyl-2-methoxyanilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
CID 176569052
N-[6-[[5-bromo-2-[2-methoxy-5-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide
CID 169278142

Frequently Asked Questions

What is the IUPAC name of N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide?
The IUPAC name of N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide (CID 167651387) is N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide is CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3N(C)S(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(C)c(Nc3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(Cl)c(N(C)c3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.CCc1cc(Nc2ncc(F)c(Nc3ccc4nccnc4c3NS(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide?
The InChIKey is QQBAXKBGXLEENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43BrN10O3S.C33H43ClN10O3S.C33H44N10O3S.C32H41FN10O3S/c1-6-22-19-27(29(47-4)20-28(22)44-13-9-23(10-14-44)43-17-15-41(2)16-18-43)39-33-37-21-24(34)32(40-33)38-26-8-7-25-30(36-12-11-35-25)31(26)42(3)48(5,45)46;1-6-22-19-26(29(47-4)20-28(22)44-13-9-23(10-14-44)43-17-15-41(2)16-18-43)38-33-37-21-24(34)32(39-33)42(3)27-8-7-25-30(36-12-11-35-25)31(27)40-48(5,45)46;1-6-23-19-27(29(46-4)20-28(23)43-13-9-24(10-14-43)42-17-15-41(3)16-18-42)38-33-36-21-22(2)32(39-33)37-26-8-7-25-30(35-12-11-34-25)31(26)40-47(5,44)45;1-5-21-18-26(28(46-3)19-27(21)43-12-8-22(9-13-43)42-16-14-41(2)15-17-42)38-32-36-20-23(33)31(39-32)37-25-7-6-24-29(35-11-10-34-24)30(25)40-47(4,44)45/h7-8,11-12,19-21,23H,6,9-10,13-18H2,1-5H3,(H2,37,38,39,40);7-8,11-12,19-21,23,40H,6,9-10,13-18H2,1-5H3,(H,37,38,39);7-8,11-12,19-21,24,40H,6,9-10,13-18H2,1-5H3,(H2,36,37,38,39);6-7,10-11,18-20,22,40H,5,8-9,12-17H2,1-4H3,(H2,36,37,38,39).
What are the key properties of N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide?
N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide has a molecular weight of 2760.70 g/mol, XLogP of 18.17, 40 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[5-bromo-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide;N-[6-[[5-chloro-2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-methylamino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-fluoropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide;N-[6-[[2-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-methylpyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide is sourced from PubChem (CID 167651387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).