4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one

C153H151F6N23O15S — CID 160715784

IUPAC4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one
SMILESC=C(NCCOC)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1
InChIInChI=1S/C29H31FN4O2.C28H29FN4O3.C25H23FN4O3.C25H25FN4O2.C25H24FN3O2.C21H19FN4O3S/c1-20-17-21-10-11-26(28(30)24(21)18-20)36-27-12-13-31-29(33-27)32-23-8-5-7-22(19-23)25(35)9-6-16-34-14-3-2-4-15-34;1-19-16-20-7-8-25(27(29)23(20)17-19)36-26-9-10-30-28(32-26)31-22-5-2-4-21(18-22)24(34)6-3-11-33-12-14-35-15-13-33;1-15-12-16-6-8-21(24(26)19(16)13-15)33-23-10-11-28-25(30-23)29-18-5-3-4-17(14-18)20(31)7-9-22(32)27-2;1-16-13-19-7-8-22(24(26)21(19)14-16)32-23-9-10-28-25(30-23)29-20-6-4-5-18(15-20)17(2)27-11-12-31-3;1-3-20(30)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(29-25)31-22-10-8-18-13-16(2)14-21(18)24(22)26;1-13-10-14-6-7-18(20(22)17(14)11-13)29-19-8-9-23-21(25-19)24-15-4-3-5-16(12-15)26-30(2,27)28/h5,7-8,10-13,18-19H,2-4,6,9,14-17H2,1H3,(H,31,32,33);2,4-5,7-10,17-18H,3,6,11-16H2,1H3,(H,30,31,32);3-6,8,10-11,13-14H,7,9,12H2,1-2H3,(H,27,32)(H,28,29,30);4-10,14-15,27H,2,11-13H2,1,3H3,(H,28,29,30);4-6,8,10-12,14-15H,3,7,9,13H2,1-2H3,(H,27,28,29);3-9,11-12,26H,10H2,1-2H3,(H,23,24,25)
InChIKeyRSLLPSDYDLWSCS-UHFFFAOYSA-N
MW2698.09 g/mol
LogP32.61
Rot. Bonds49

About 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one

4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one (PubChem CID 160715784) has the molecular formula C153H151F6N23O15S and a molecular weight of 2698.09 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one
PubChem CID160715784
Molecular FormulaC153H151F6N23O15S
Molecular Weight2698.09 g/mol
Exact Mass2696.14
IUPAC Name4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one
SMILESC=C(NCCOC)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1
InChIInChI=1S/C29H31FN4O2.C28H29FN4O3.C25H23FN4O3.C25H25FN4O2.C25H24FN3O2.C21H19FN4O3S/c1-20-17-21-10-11-26(28(30)24(21)18-20)36-27-12-13-31-29(33-27)32-23-8-5-7-22(19-23)25(35)9-6-16-34-14-3-2-4-15-34;1-19-16-20-7-8-25(27(29)23(20)17-19)36-26-9-10-30-28(32-26)31-22-5-2-4-21(18-22)24(34)6-3-11-33-12-14-35-15-13-33;1-15-12-16-6-8-21(24(26)19(16)13-15)33-23-10-11-28-25(30-23)29-18-5-3-4-17(14-18)20(31)7-9-22(32)27-2;1-16-13-19-7-8-22(24(26)21(19)14-16)32-23-9-10-28-25(30-23)29-20-6-4-5-18(15-20)17(2)27-11-12-31-3;1-3-20(30)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(29-25)31-22-10-8-18-13-16(2)14-21(18)24(22)26;1-13-10-14-6-7-18(20(22)17(14)11-13)29-19-8-9-23-21(25-19)24-15-4-3-5-16(12-15)26-30(2,27)28/h5,7-8,10-13,18-19H,2-4,6,9,14-17H2,1H3,(H,31,32,33);2,4-5,7-10,17-18H,3,6,11-16H2,1H3,(H,30,31,32);3-6,8,10-11,13-14H,7,9,12H2,1-2H3,(H,27,32)(H,28,29,30);4-10,14-15,27H,2,11-13H2,1,3H3,(H,28,29,30);4-6,8,10-12,14-15H,3,7,9,13H2,1-2H3,(H,27,28,29);3-9,11-12,26H,10H2,1-2H3,(H,23,24,25)
InChIKeyRSLLPSDYDLWSCS-UHFFFAOYSA-N
XLogP32.61
TPSA462.76 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds49
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002698.09
LogP ≤ 532.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 157051306
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 157246169
4-[[4-[[(1S,2R)-2-[ethyl(methylsulfonyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-methoxy-2-methyl-4-[[4-[[(1S,2R)-2-[methyl(methylsulfonyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;3-methoxy-4-[[4-[[(1S,2R)-2-[methyl(methylsulfonyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 157455150
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 157582887
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-isocyanopyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 157917560
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 158978307
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 159091723
2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159459986
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 159682843
4-[[4-[2-[ethyl(methylsulfonyl)amino]phenoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;2-fluoro-5-methoxy-4-[[4-[2-[methyl(methylsulfonyl)amino]phenoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;3-methoxy-4-[[4-[2-[methyl(methylsulfonyl)amino]phenoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 159792137
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 160676598
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-isocyanopyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 161057850

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one (CID 160715784) is 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one is C=C(NCCOC)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one?
The InChIKey is RSLLPSDYDLWSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2.C28H29FN4O3.C25H23FN4O3.C25H25FN4O2.C25H24FN3O2.C21H19FN4O3S/c1-20-17-21-10-11-26(28(30)24(21)18-20)36-27-12-13-31-29(33-27)32-23-8-5-7-22(19-23)25(35)9-6-16-34-14-3-2-4-15-34;1-19-16-20-7-8-25(27(29)23(20)17-19)36-26-9-10-30-28(32-26)31-22-5-2-4-21(18-22)24(34)6-3-11-33-12-14-35-15-13-33;1-15-12-16-6-8-21(24(26)19(16)13-15)33-23-10-11-28-25(30-23)29-18-5-3-4-17(14-18)20(31)7-9-22(32)27-2;1-16-13-19-7-8-22(24(26)21(19)14-16)32-23-9-10-28-25(30-23)29-20-6-4-5-18(15-20)17(2)27-11-12-31-3;1-3-20(30)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(29-25)31-22-10-8-18-13-16(2)14-21(18)24(22)26;1-13-10-14-6-7-18(20(22)17(14)11-13)29-19-8-9-23-21(25-19)24-15-4-3-5-16(12-15)26-30(2,27)28/h5,7-8,10-13,18-19H,2-4,6,9,14-17H2,1H3,(H,31,32,33);2,4-5,7-10,17-18H,3,6,11-16H2,1H3,(H,30,31,32);3-6,8,10-11,13-14H,7,9,12H2,1-2H3,(H,27,32)(H,28,29,30);4-10,14-15,27H,2,11-13H2,1,3H3,(H,28,29,30);4-6,8,10-12,14-15H,3,7,9,13H2,1-2H3,(H,27,28,29);3-9,11-12,26H,10H2,1-2H3,(H,23,24,25).
What are the key properties of 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one?
4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one has a molecular weight of 2698.09 g/mol, XLogP of 32.61, 49 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 160715784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).