4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one

C156H160F6N24O13 — CID 159328533

IUPAC4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)c2F)C1.CNCCOc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1
InChIInChI=1S/C28H31FN4O2.C27H25FN4O3.C27H29FN4O2.C26H27FN4O2.C25H25FN4O2.C23H23FN4O2/c1-19-15-22-5-6-25(27(29)24(22)16-19)35-26-7-11-30-28(32-26)31-23-4-2-3-21(17-23)18-33-12-8-20(9-13-33)10-14-34;1-18-15-20-6-7-23(26(28)22(20)16-18)35-24-9-10-29-27(31-24)30-21-4-2-3-19(17-21)5-8-25(33)32-11-13-34-14-12-32;1-18-13-21-5-6-24(26(28)23(21)14-18)34-25-7-10-29-27(31-25)30-22-4-2-3-20(15-22)16-32-11-8-19(17-33)9-12-32;1-17-14-18-9-10-23(25(27)21(18)15-17)33-24-11-12-28-26(30-24)29-20-7-4-6-19(16-20)22(32)8-5-13-31(2)3;1-17-13-19-5-6-22(24(26)21(19)14-17)32-23-7-8-27-25(29-23)28-20-4-2-3-18(15-20)16-30-9-11-31-12-10-30;1-15-12-16-6-7-20(22(24)19(16)13-15)30-21-8-9-26-23(28-21)27-17-4-3-5-18(14-17)29-11-10-25-2/h2-7,11,16-17,20,34H,8-10,12-15,18H2,1H3,(H,30,31,32);2-10,16-17H,11-15H2,1H3,(H,29,30,31);2-7,10,14-15,19,33H,8-9,11-13,16-17H2,1H3,(H,29,30,31);4,6-7,9-12,15-16H,5,8,13-14H2,1-3H3,(H,28,29,30);2-8,14-15H,9-13,16H2,1H3,(H,27,28,29);3-9,13-14,25H,10-12H2,1-2H3,(H,26,27,28)/b;8-5+;;;;
InChIKeyLERIOUPUNZTTMZ-QDKANRSRSA-N
MW2693.14 g/mol
LogP31.29
Rot. Bonds44

About 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one

4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 159328533) has the molecular formula C156H160F6N24O13 and a molecular weight of 2693.14 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID159328533
Molecular FormulaC156H160F6N24O13
Molecular Weight2693.14 g/mol
Exact Mass2691.25
IUPAC Name4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)c2F)C1.CNCCOc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1
InChIInChI=1S/C28H31FN4O2.C27H25FN4O3.C27H29FN4O2.C26H27FN4O2.C25H25FN4O2.C23H23FN4O2/c1-19-15-22-5-6-25(27(29)24(22)16-19)35-26-7-11-30-28(32-26)31-23-4-2-3-21(17-23)18-33-12-8-20(9-13-33)10-14-34;1-18-15-20-6-7-23(26(28)22(20)16-18)35-24-9-10-29-27(31-24)30-21-4-2-3-19(17-21)5-8-25(33)32-11-13-34-14-12-32;1-18-13-21-5-6-24(26(28)23(21)14-18)34-25-7-10-29-27(31-25)30-22-4-2-3-20(15-22)16-32-11-8-19(17-33)9-12-32;1-17-14-18-9-10-23(25(27)21(18)15-17)33-24-11-12-28-26(30-24)29-20-7-4-6-19(16-20)22(32)8-5-13-31(2)3;1-17-13-19-5-6-22(24(26)21(19)14-17)32-23-7-8-27-25(29-23)28-20-4-2-3-18(15-20)16-30-9-11-31-12-10-30;1-15-12-16-6-7-20(22(24)19(16)13-15)30-21-8-9-26-23(28-21)27-17-4-3-5-18(14-17)29-11-10-25-2/h2-7,11,16-17,20,34H,8-10,12-15,18H2,1H3,(H,30,31,32);2-10,16-17H,11-15H2,1H3,(H,29,30,31);2-7,10,14-15,19,33H,8-9,11-13,16-17H2,1H3,(H,29,30,31);4,6-7,9-12,15-16H,5,8,13-14H2,1-3H3,(H,28,29,30);2-8,14-15H,9-13,16H2,1H3,(H,27,28,29);3-9,13-14,25H,10-12H2,1-2H3,(H,26,27,28)/b;8-5+;;;;
InChIKeyLERIOUPUNZTTMZ-QDKANRSRSA-N
XLogP31.29
TPSA412.76 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds44
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002693.14
LogP ≤ 531.29
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one with MolForge

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Related Compounds

2-anilino-4-[3-[[(E)-3-[2-anilino-4-[3-[(2E)-5-[[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]carbamoyl]-3-methylhexa-2,5-dienoyl]anilino]pyrimidin-5-yl]prop-2-enoyl]amino]anilino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 139565416
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
N-[3-[[5-fluoro-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one
CID 157237752
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
N-[3-[[5-fluoro-2-(4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;N-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 157498382
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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(4-methylpiperazin-1-yl)-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;[2-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 157627218
[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl (E)-but-2-enoate;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-1-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;3-methyl-1-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one
CID 157759374
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
[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl (E)-but-2-enoate;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;3-methyl-1-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;3-methyl-1-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one
CID 158340200
1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[(3R)-oxolan-3-yl]oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-1-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;N-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 158650901
2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(4-hydroxycyclohexyl)-3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-methoxy-N-(1-methylpiperidin-4-yl)-4-[[4-[(3-oxo-2-propyl-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-methoxy-N-(oxan-4-yl)-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 158684989
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;N-[[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one
CID 158952212

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one (CID 159328533) is 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one is CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)c2F)C1.CNCCOc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.
What is the InChIKey of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is LERIOUPUNZTTMZ-QDKANRSRSA-N. The full InChI is InChI=1S/C28H31FN4O2.C27H25FN4O3.C27H29FN4O2.C26H27FN4O2.C25H25FN4O2.C23H23FN4O2/c1-19-15-22-5-6-25(27(29)24(22)16-19)35-26-7-11-30-28(32-26)31-23-4-2-3-21(17-23)18-33-12-8-20(9-13-33)10-14-34;1-18-15-20-6-7-23(26(28)22(20)16-18)35-24-9-10-29-27(31-24)30-21-4-2-3-19(17-21)5-8-25(33)32-11-13-34-14-12-32;1-18-13-21-5-6-24(26(28)23(21)14-18)34-25-7-10-29-27(31-25)30-22-4-2-3-20(15-22)16-32-11-8-19(17-33)9-12-32;1-17-14-18-9-10-23(25(27)21(18)15-17)33-24-11-12-28-26(30-24)29-20-7-4-6-19(16-20)22(32)8-5-13-31(2)3;1-17-13-19-5-6-22(24(26)21(19)14-17)32-23-7-8-27-25(29-23)28-20-4-2-3-18(15-20)16-30-9-11-31-12-10-30;1-15-12-16-6-7-20(22(24)19(16)13-15)30-21-8-9-26-23(28-21)27-17-4-3-5-18(14-17)29-11-10-25-2/h2-7,11,16-17,20,34H,8-10,12-15,18H2,1H3,(H,30,31,32);2-10,16-17H,11-15H2,1H3,(H,29,30,31);2-7,10,14-15,19,33H,8-9,11-13,16-17H2,1H3,(H,29,30,31);4,6-7,9-12,15-16H,5,8,13-14H2,1-3H3,(H,28,29,30);2-8,14-15H,9-13,16H2,1H3,(H,27,28,29);3-9,13-14,25H,10-12H2,1-2H3,(H,26,27,28)/b;8-5+;;;;.
What are the key properties of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 2693.14 g/mol, XLogP of 31.29, 44 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 159328533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).