N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane

C203H194ClF4N35O16S4 — CID 157252279

IUPACN-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
SMILESCC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CCS(=O)(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(Cl)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(F)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C#N)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.S
InChIInChI=1S/C28H31N5O3.C24H24N4O2.C23H23N3O4S.C23H23N3O.C22H22N4O3S.C22H21N3O3S.C21H16FN5.C20H16ClFN4.C20H16F2N4.H2S/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-16-11-17-5-6-21(13-18(17)12-16)30-23-8-10-26-24(28-23)27-19-3-2-4-20(14-19)29-22-7-9-25-15-22;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-3-29(26,27)19-6-4-5-16(12-19)13-21-23-10-9-22(25-21)28-18-7-8-20-17(14-18)11-15(2)24-20;1-13-10-16-17(25-13)6-7-18(21(16)22)26-19-8-9-24-20(27-19)11-14-4-2-3-5-15(14)12-23;2*1-12-9-15-16(24-12)5-6-17(20(15)22)25-18-7-8-23-19(26-18)11-13-3-2-4-14(21)10-13;/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);4-12,14,24H,3,13H2,1-2H3;2-10,25H,11H2,1H3,(H,24,26,27);2*2-10,24H,11H2,1H3,(H,23,25,26);1H2/t;22-;;;;;;;;/m.0......../s1
InChIKeyAWMCHEMOJYGYGE-SEQTWXAASA-N
MW3619.73 g/mol
LogP42.13
Rot. Bonds54

About N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane

N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane (PubChem CID 157252279) has the molecular formula C203H194ClF4N35O16S4 and a molecular weight of 3619.73 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
PubChem CID157252279
Molecular FormulaC203H194ClF4N35O16S4
Molecular Weight3619.73 g/mol
Exact Mass3616.40
IUPAC NameN-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
SMILESCC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CCS(=O)(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(Cl)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(F)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C#N)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.S
InChIInChI=1S/C28H31N5O3.C24H24N4O2.C23H23N3O4S.C23H23N3O.C22H22N4O3S.C22H21N3O3S.C21H16FN5.C20H16ClFN4.C20H16F2N4.H2S/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-16-11-17-5-6-21(13-18(17)12-16)30-23-8-10-26-24(28-23)27-19-3-2-4-20(14-19)29-22-7-9-25-15-22;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-3-29(26,27)19-6-4-5-16(12-19)13-21-23-10-9-22(25-21)28-18-7-8-20-17(14-18)11-15(2)24-20;1-13-10-16-17(25-13)6-7-18(21(16)22)26-19-8-9-24-20(27-19)11-14-4-2-3-5-15(14)12-23;2*1-12-9-15-16(24-12)5-6-17(20(15)22)25-18-7-8-23-19(26-18)11-13-3-2-4-14(21)10-13;/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);4-12,14,24H,3,13H2,1-2H3;2-10,25H,11H2,1H3,(H,24,26,27);2*2-10,24H,11H2,1H3,(H,23,25,26);1H2/t;22-;;;;;;;;/m.0......../s1
InChIKeyAWMCHEMOJYGYGE-SEQTWXAASA-N
XLogP42.13
TPSA660.86 Ų
H-Bond Donors15
H-Bond Acceptors44
Rotatable Bonds54
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003619.73
LogP ≤ 542.13
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1044

Analyze N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane with MolForge

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Related Compounds

CID 158756616
CID 158756616
N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 158878226
4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 158895577
4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 159097364
N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 159528561
2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol
CID 159911382
4-N-(4-fluoro-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 160547320
CID 161170706
CID 161170706
4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol
CID 161698559

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane (CID 157252279) is N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane is CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CCS(=O)(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(Cl)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(F)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C#N)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.S.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?
The InChIKey is AWMCHEMOJYGYGE-SEQTWXAASA-N. The full InChI is InChI=1S/C28H31N5O3.C24H24N4O2.C23H23N3O4S.C23H23N3O.C22H22N4O3S.C22H21N3O3S.C21H16FN5.C20H16ClFN4.C20H16F2N4.H2S/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-16-11-17-5-6-21(13-18(17)12-16)30-23-8-10-26-24(28-23)27-19-3-2-4-20(14-19)29-22-7-9-25-15-22;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-3-29(26,27)19-6-4-5-16(12-19)13-21-23-10-9-22(25-21)28-18-7-8-20-17(14-18)11-15(2)24-20;1-13-10-16-17(25-13)6-7-18(21(16)22)26-19-8-9-24-20(27-19)11-14-4-2-3-5-15(14)12-23;2*1-12-9-15-16(24-12)5-6-17(20(15)22)25-18-7-8-23-19(26-18)11-13-3-2-4-14(21)10-13;/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);4-12,14,24H,3,13H2,1-2H3;2-10,25H,11H2,1H3,(H,24,26,27);2*2-10,24H,11H2,1H3,(H,23,25,26);1H2/t;22-;;;;;;;;/m.0......../s1.
What are the key properties of N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?
N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane has a molecular weight of 3619.73 g/mol, XLogP of 42.13, 54 rotatable bonds, 15 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane is sourced from PubChem (CID 157252279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).