N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine

C224H199Cl2F14N41O6S — CID 159663933

IUPACN-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)c2F)C1.COc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.Cc1cc(C)cc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.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.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C(F)(F)F)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C28H32FN5O.C26H21FN4O.C25H26FN3O3S.C22H21FN4.C21H16F4N4.C21H16FN5.C21H19FN4O.2C20H16ClFN4.C20H16F2N4/c1-19-15-22-5-6-25(27(29)24(22)16-19)32-26-7-11-30-28(33-26)31-23-4-2-3-21(17-23)18-34-12-8-20(9-13-34)10-14-35;1-17-15-21-22(29-17)11-12-23(26(21)27)30-24-13-14-28-25(31-24)16-18-7-9-20(10-8-18)32-19-5-3-2-4-6-19;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-3-6-21(14-18)32-11-4-12-33(2,30)31;1-13-8-14(2)10-16(9-13)12-21-24-7-6-20(27-21)26-19-5-4-18-17(22(19)23)11-15(3)25-18;1-12-10-14-16(27-12)6-7-17(20(14)22)28-18-8-9-26-19(29-18)11-13-4-2-3-5-15(13)21(23,24)25;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;1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14;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;1-12-10-14-16(24-12)6-7-17(20(14)22)25-18-8-9-23-19(26-18)11-13-4-2-3-5-15(13)21;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/h2-7,11,16-17,20,35H,8-10,12-15,18H2,1H3,(H2,30,31,32,33);2-15,29H,16H2,1H3,(H,28,30,31);3,5-10,13-14,28H,4,11-12,15-16H2,1-2H3;4-11,25H,12H2,1-3H3,(H,24,26,27);2-10,27H,11H2,1H3,(H,26,28,29);2-10,25H,11H2,1H3,(H,24,26,27);3-11,24H,12H2,1-2H3,(H,23,25,26);3*2-10,24H,11H2,1H3,(H,23,25,26)
InChIKeyMTDVPFMHXCSSHD-UHFFFAOYSA-N
MW3930.28 g/mol
LogP52.73
Rot. Bonds52

About N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine

N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine (PubChem CID 159663933) has the molecular formula C224H199Cl2F14N41O6S and a molecular weight of 3930.28 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
PubChem CID159663933
Molecular FormulaC224H199Cl2F14N41O6S
Molecular Weight3930.28 g/mol
Exact Mass3926.54
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)c2F)C1.COc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.Cc1cc(C)cc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.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.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C(F)(F)F)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C28H32FN5O.C26H21FN4O.C25H26FN3O3S.C22H21FN4.C21H16F4N4.C21H16FN5.C21H19FN4O.2C20H16ClFN4.C20H16F2N4/c1-19-15-22-5-6-25(27(29)24(22)16-19)32-26-7-11-30-28(33-26)31-23-4-2-3-21(17-23)18-34-12-8-20(9-13-34)10-14-35;1-17-15-21-22(29-17)11-12-23(26(21)27)30-24-13-14-28-25(31-24)16-18-7-9-20(10-8-18)32-19-5-3-2-4-6-19;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-3-6-21(14-18)32-11-4-12-33(2,30)31;1-13-8-14(2)10-16(9-13)12-21-24-7-6-20(27-21)26-19-5-4-18-17(22(19)23)11-15(3)25-18;1-12-10-14-16(27-12)6-7-17(20(14)22)28-18-8-9-26-19(29-18)11-13-4-2-3-5-15(13)21(23,24)25;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;1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14;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;1-12-10-14-16(24-12)6-7-17(20(14)22)25-18-8-9-23-19(26-18)11-13-4-2-3-5-15(13)21;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/h2-7,11,16-17,20,35H,8-10,12-15,18H2,1H3,(H2,30,31,32,33);2-15,29H,16H2,1H3,(H,28,30,31);3,5-10,13-14,28H,4,11-12,15-16H2,1-2H3;4-11,25H,12H2,1-3H3,(H,24,26,27);2-10,27H,11H2,1H3,(H,26,28,29);2-10,25H,11H2,1H3,(H,24,26,27);3-11,24H,12H2,1-2H3,(H,23,25,26);3*2-10,24H,11H2,1H3,(H,23,25,26)
InChIKeyMTDVPFMHXCSSHD-UHFFFAOYSA-N
XLogP52.73
TPSA629.30 Ų
H-Bond Donors20
H-Bond Acceptors38
Rotatable Bonds52
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003930.28
LogP ≤ 552.73
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-chloro-3-pyridinyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(3,5-difluorophenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(1-hydroxycyclohexyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(4-phenoxyphenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 159724936
4-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[3-(dimethylamino)phenyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[3-(methoxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[3-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[3-[2-(4-piperazin-1-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile
CID 159850558
N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
CID 161036256
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine;1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158008900

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine (CID 159663933) is N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine is CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)c2F)C1.COc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.Cc1cc(C)cc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.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.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C(F)(F)F)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The InChIKey is MTDVPFMHXCSSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O.C26H21FN4O.C25H26FN3O3S.C22H21FN4.C21H16F4N4.C21H16FN5.C21H19FN4O.2C20H16ClFN4.C20H16F2N4/c1-19-15-22-5-6-25(27(29)24(22)16-19)32-26-7-11-30-28(33-26)31-23-4-2-3-21(17-23)18-34-12-8-20(9-13-34)10-14-35;1-17-15-21-22(29-17)11-12-23(26(21)27)30-24-13-14-28-25(31-24)16-18-7-9-20(10-8-18)32-19-5-3-2-4-6-19;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-3-6-21(14-18)32-11-4-12-33(2,30)31;1-13-8-14(2)10-16(9-13)12-21-24-7-6-20(27-21)26-19-5-4-18-17(22(19)23)11-15(3)25-18;1-12-10-14-16(27-12)6-7-17(20(14)22)28-18-8-9-26-19(29-18)11-13-4-2-3-5-15(13)21(23,24)25;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;1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14;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;1-12-10-14-16(24-12)6-7-17(20(14)22)25-18-8-9-23-19(26-18)11-13-4-2-3-5-15(13)21;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/h2-7,11,16-17,20,35H,8-10,12-15,18H2,1H3,(H2,30,31,32,33);2-15,29H,16H2,1H3,(H,28,30,31);3,5-10,13-14,28H,4,11-12,15-16H2,1-2H3;4-11,25H,12H2,1-3H3,(H,24,26,27);2-10,27H,11H2,1H3,(H,26,28,29);2-10,25H,11H2,1H3,(H,24,26,27);3-11,24H,12H2,1-2H3,(H,23,25,26);3*2-10,24H,11H2,1H3,(H,23,25,26).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine?
N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine has a molecular weight of 3930.28 g/mol, XLogP of 52.73, 52 rotatable bonds, 20 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine is sourced from PubChem (CID 159663933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).