magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide

C195H262Br2Cl16F10MgN40O22Sn — CID 158996253

IUPACmagnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide
SMILESC.C1CCOC1.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC#N.CC(=O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Cl)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc(N)c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc(NC(=O)CCCl)c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(F)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCN(CC)CC.CN(C)[C@@H]1CCNC1.COc1cc(F)c([N+](=O)[O-])cc1N.ClCCl.Clc1ccnc(Cl)n1.Nc1cc(Cl)c(F)cc1Br.O=C(Cl)CCCl.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C30H38Cl2FN7O3.C27H33ClFN7O4.C27H35ClFN7O2.C21H20ClF2N5O4.C14H14Cl2FN3O.C10H13ClFNO.C8H7ClFNO.C7H7FN2O3.C6H4BrClFN.C6H14N2.C6H15N.C4H2Cl2N2.C4H8O.C4H7O.3C4H9.C3H4Cl2O.C2H3N.C2H5.CH2Cl2.CH4.BrH.Mg.Sn/c1-6-30(2,42)19-13-21(33)20(32)14-22(19)35-27-8-11-34-29(38-27)37-24-15-23(36-28(41)7-10-31)25(16-26(24)43-5)40-12-9-18(17-40)39(3)4;1-6-27(2,37)17-11-19(29)18(28)12-20(17)31-25-7-9-30-26(33-25)32-21-13-23(36(38)39)22(14-24(21)40-5)35-10-8-16(15-35)34(3)4;1-6-27(2,37)17-11-19(29)18(28)12-21(17)32-25-7-9-31-26(34-25)33-22-13-20(30)23(14-24(22)38-5)36-10-8-16(15-36)35(3)4;1-4-21(2,30)11-7-13(23)12(22)8-15(11)26-19-5-6-25-20(28-19)27-16-10-17(29(31)32)14(24)9-18(16)33-3;1-3-14(2,21)8-6-10(17)9(15)7-11(8)19-12-4-5-18-13(16)20-12;1-3-10(2,14)6-4-8(12)7(11)5-9(6)13;1-4(12)5-2-7(10)6(9)3-8(5)11;1-13-7-2-4(8)6(10(11)12)3-5(7)9;7-3-1-5(9)4(8)2-6(3)10;1-8(2)6-3-4-7-5-6;1-4-7(5-2)6-3;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-3-5-4-2;3*1-3-4-2;4-2-1-3(5)6;1-2-3;1-2;2-1-3;;;;/h8,11,13-16,18,42H,6-7,9-10,12,17H2,1-5H3,(H,36,41)(H2,34,35,37,38);7,9,11-14,16,37H,6,8,10,15H2,1-5H3,(H2,30,31,32,33);7,9,11-14,16,37H,6,8,10,15,30H2,1-5H3,(H2,31,32,33,34);5-10,30H,4H2,1-3H3,(H2,25,26,27,28);4-7,21H,3H2,1-2H3,(H,18,19,20);4-5,14H,3,13H2,1-2H3;2-3H,11H2,1H3;2-3H,9H2,1H3;1-2H,10H2;6-7H,3-5H2,1-2H3;4-6H2,1-3H3;1-2H;1-4H2;1,4H2,2H3;3*1,3-4H2,2H3;1-2H2;1H3;1H2,2H3;1H2;1H4;1H;;/q;;;;;;;;;;;;;;;;;;;-1;;;;+2;/p-1/t18-,30?;2*16-,27?;;;;;;;6-;;;;;;;;;;;;;;;/m111......1.............../s1
InChIKeyHOJXDMDHTBIWGA-LOXUHQLESA-M
MW4578.55 g/mol
LogP46.63
Rot. Bonds66

About magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide

magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide (PubChem CID 158996253) has the molecular formula C195H262Br2Cl16F10MgN40O22Sn and a molecular weight of 4578.55 g/mol. Its IUPAC name is magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide.

Molecular Properties

Compound Namemagnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide
PubChem CID158996253
Molecular FormulaC195H262Br2Cl16F10MgN40O22Sn
Molecular Weight4578.55 g/mol
Exact Mass4567.27
IUPAC Namemagnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide
SMILESC.C1CCOC1.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC#N.CC(=O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Cl)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc(N)c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc(NC(=O)CCCl)c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(F)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCN(CC)CC.CN(C)[C@@H]1CCNC1.COc1cc(F)c([N+](=O)[O-])cc1N.ClCCl.Clc1ccnc(Cl)n1.Nc1cc(Cl)c(F)cc1Br.O=C(Cl)CCCl.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C30H38Cl2FN7O3.C27H33ClFN7O4.C27H35ClFN7O2.C21H20ClF2N5O4.C14H14Cl2FN3O.C10H13ClFNO.C8H7ClFNO.C7H7FN2O3.C6H4BrClFN.C6H14N2.C6H15N.C4H2Cl2N2.C4H8O.C4H7O.3C4H9.C3H4Cl2O.C2H3N.C2H5.CH2Cl2.CH4.BrH.Mg.Sn/c1-6-30(2,42)19-13-21(33)20(32)14-22(19)35-27-8-11-34-29(38-27)37-24-15-23(36-28(41)7-10-31)25(16-26(24)43-5)40-12-9-18(17-40)39(3)4;1-6-27(2,37)17-11-19(29)18(28)12-20(17)31-25-7-9-30-26(33-25)32-21-13-23(36(38)39)22(14-24(21)40-5)35-10-8-16(15-35)34(3)4;1-6-27(2,37)17-11-19(29)18(28)12-21(17)32-25-7-9-31-26(34-25)33-22-13-20(30)23(14-24(22)38-5)36-10-8-16(15-36)35(3)4;1-4-21(2,30)11-7-13(23)12(22)8-15(11)26-19-5-6-25-20(28-19)27-16-10-17(29(31)32)14(24)9-18(16)33-3;1-3-14(2,21)8-6-10(17)9(15)7-11(8)19-12-4-5-18-13(16)20-12;1-3-10(2,14)6-4-8(12)7(11)5-9(6)13;1-4(12)5-2-7(10)6(9)3-8(5)11;1-13-7-2-4(8)6(10(11)12)3-5(7)9;7-3-1-5(9)4(8)2-6(3)10;1-8(2)6-3-4-7-5-6;1-4-7(5-2)6-3;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-3-5-4-2;3*1-3-4-2;4-2-1-3(5)6;1-2-3;1-2;2-1-3;;;;/h8,11,13-16,18,42H,6-7,9-10,12,17H2,1-5H3,(H,36,41)(H2,34,35,37,38);7,9,11-14,16,37H,6,8,10,15H2,1-5H3,(H2,30,31,32,33);7,9,11-14,16,37H,6,8,10,15,30H2,1-5H3,(H2,31,32,33,34);5-10,30H,4H2,1-3H3,(H2,25,26,27,28);4-7,21H,3H2,1-2H3,(H,18,19,20);4-5,14H,3,13H2,1-2H3;2-3H,11H2,1H3;2-3H,9H2,1H3;1-2H,10H2;6-7H,3-5H2,1-2H3;4-6H2,1-3H3;1-2H;1-4H2;1,4H2,2H3;3*1,3-4H2,2H3;1-2H2;1H3;1H2,2H3;1H2;1H4;1H;;/q;;;;;;;;;;;;;;;;;;;-1;;;;+2;/p-1/t18-,30?;2*16-,27?;;;;;;;6-;;;;;;;;;;;;;;;/m111......1.............../s1
InChIKeyHOJXDMDHTBIWGA-LOXUHQLESA-M
XLogP46.63
TPSA833.44 Ų
H-Bond Donors22
H-Bond Acceptors58
Rotatable Bonds66
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004578.55
LogP ≤ 546.63
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1058

Analyze magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide?
The IUPAC name of magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide (CID 158996253) is magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide.
What is the SMILES notation for magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide?
The canonical SMILES for magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide is C.C1CCOC1.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC#N.CC(=O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Cl)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc(N)c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc(NC(=O)CCCl)c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(F)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CCN(CC)CC.CN(C)[C@@H]1CCNC1.COc1cc(F)c([N+](=O)[O-])cc1N.ClCCl.Clc1ccnc(Cl)n1.Nc1cc(Cl)c(F)cc1Br.O=C(Cl)CCCl.[Br-].[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide?
The InChIKey is HOJXDMDHTBIWGA-LOXUHQLESA-M. The full InChI is InChI=1S/C30H38Cl2FN7O3.C27H33ClFN7O4.C27H35ClFN7O2.C21H20ClF2N5O4.C14H14Cl2FN3O.C10H13ClFNO.C8H7ClFNO.C7H7FN2O3.C6H4BrClFN.C6H14N2.C6H15N.C4H2Cl2N2.C4H8O.C4H7O.3C4H9.C3H4Cl2O.C2H3N.C2H5.CH2Cl2.CH4.BrH.Mg.Sn/c1-6-30(2,42)19-13-21(33)20(32)14-22(19)35-27-8-11-34-29(38-27)37-24-15-23(36-28(41)7-10-31)25(16-26(24)43-5)40-12-9-18(17-40)39(3)4;1-6-27(2,37)17-11-19(29)18(28)12-20(17)31-25-7-9-30-26(33-25)32-21-13-23(36(38)39)22(14-24(21)40-5)35-10-8-16(15-35)34(3)4;1-6-27(2,37)17-11-19(29)18(28)12-21(17)32-25-7-9-31-26(34-25)33-22-13-20(30)23(14-24(22)38-5)36-10-8-16(15-36)35(3)4;1-4-21(2,30)11-7-13(23)12(22)8-15(11)26-19-5-6-25-20(28-19)27-16-10-17(29(31)32)14(24)9-18(16)33-3;1-3-14(2,21)8-6-10(17)9(15)7-11(8)19-12-4-5-18-13(16)20-12;1-3-10(2,14)6-4-8(12)7(11)5-9(6)13;1-4(12)5-2-7(10)6(9)3-8(5)11;1-13-7-2-4(8)6(10(11)12)3-5(7)9;7-3-1-5(9)4(8)2-6(3)10;1-8(2)6-3-4-7-5-6;1-4-7(5-2)6-3;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-3-5-4-2;3*1-3-4-2;4-2-1-3(5)6;1-2-3;1-2;2-1-3;;;;/h8,11,13-16,18,42H,6-7,9-10,12,17H2,1-5H3,(H,36,41)(H2,34,35,37,38);7,9,11-14,16,37H,6,8,10,15H2,1-5H3,(H2,30,31,32,33);7,9,11-14,16,37H,6,8,10,15,30H2,1-5H3,(H2,31,32,33,34);5-10,30H,4H2,1-3H3,(H2,25,26,27,28);4-7,21H,3H2,1-2H3,(H,18,19,20);4-5,14H,3,13H2,1-2H3;2-3H,11H2,1H3;2-3H,9H2,1H3;1-2H,10H2;6-7H,3-5H2,1-2H3;4-6H2,1-3H3;1-2H;1-4H2;1,4H2,2H3;3*1,3-4H2,2H3;1-2H2;1H3;1H2,2H3;1H2;1H4;1H;;/q;;;;;;;;;;;;;;;;;;;-1;;;;+2;/p-1/t18-,30?;2*16-,27?;;;;;;;6-;;;;;;;;;;;;;;;/m111......1.............../s1.
What are the key properties of magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide?
magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide has a molecular weight of 4578.55 g/mol, XLogP of 46.63, 66 rotatable bonds, 22 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;acetonitrile;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-[2-[[2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-4-chloro-5-fluorophenyl]butan-2-ol;2-bromo-5-chloro-4-fluoroaniline;3-chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxybutan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;3-chloropropanoyl chloride;dichloromethane;2,4-dichloropyrimidine;N,N-diethylethanamine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide is sourced from PubChem (CID 158996253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).