1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine

C147H149F6N27O11S — CID 159380891

IUPAC1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCCN5CCCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCCCC5)c4)n3)c2F)C1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COc1ccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)cn1
InChIInChI=1S/C28H31FN4O2.C27H29FN4O2.C25H24FN5O2.C25H25FN4O2.C22H22FN5O2S.C20H18FN5O/c1-20-17-21-9-10-25(27(29)24(21)18-20)35-26-11-12-30-28(32-26)31-22-7-5-8-23(19-22)34-16-6-15-33-13-3-2-4-14-33;1-19-16-20-8-9-24(26(28)23(20)17-19)34-25-10-11-29-27(31-25)30-21-6-5-7-22(18-21)33-15-14-32-12-3-2-4-13-32;1-15-12-16-6-7-20(24(26)19(16)13-15)30-22-10-11-28-25(31-22)29-18-5-3-4-17(14-18)21(32)8-9-23(33)27-2;1-16-13-17-5-6-22(24(26)21(17)14-16)29-23-7-10-27-25(30-23)28-18-3-2-4-20(15-18)32-19-8-11-31-12-9-19;1-14-10-16-6-7-19(21(23)18(16)11-14)27-20-8-9-25-22(28-20)26-17-5-3-4-15(12-17)13-31(29,30)24-2;1-12-9-13-3-5-16(19(21)15(13)10-12)25-17-7-8-22-20(26-17)24-14-4-6-18(27-2)23-11-14/h5,7-12,18-19H,2-4,6,13-17H2,1H3,(H,30,31,32);5-11,17-18H,2-4,12-16H2,1H3,(H,29,30,31);3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,27,33)(H2,28,29,30,31);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H2,27,28,29,30);3-9,11-12,24H,10,13H2,1-2H3,(H2,25,26,27,28);3-8,10-11H,9H2,1-2H3,(H2,22,24,25,26)
InChIKeyLKWVSTUILYIHTD-UHFFFAOYSA-N
MW2616.04 g/mol
LogP31.31
Rot. Bonds43

About 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine

1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine (PubChem CID 159380891) has the molecular formula C147H149F6N27O11S and a molecular weight of 2616.04 g/mol. Its IUPAC name is 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine
PubChem CID159380891
Molecular FormulaC147H149F6N27O11S
Molecular Weight2616.04 g/mol
Exact Mass2614.16
IUPAC Name1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCCN5CCCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCCCC5)c4)n3)c2F)C1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COc1ccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)cn1
InChIInChI=1S/C28H31FN4O2.C27H29FN4O2.C25H24FN5O2.C25H25FN4O2.C22H22FN5O2S.C20H18FN5O/c1-20-17-21-9-10-25(27(29)24(21)18-20)35-26-11-12-30-28(32-26)31-22-7-5-8-23(19-22)34-16-6-15-33-13-3-2-4-14-33;1-19-16-20-8-9-24(26(28)23(20)17-19)34-25-10-11-29-27(31-25)30-21-6-5-7-22(18-21)33-15-14-32-12-3-2-4-13-32;1-15-12-16-6-7-20(24(26)19(16)13-15)30-22-10-11-28-25(31-22)29-18-5-3-4-17(14-18)21(32)8-9-23(33)27-2;1-16-13-17-5-6-22(24(26)21(17)14-16)29-23-7-10-27-25(30-23)28-18-3-2-4-20(15-18)32-19-8-11-31-12-9-19;1-14-10-16-6-7-19(21(23)18(16)11-14)27-20-8-9-25-22(28-20)26-17-5-3-4-15(12-17)13-31(29,30)24-2;1-12-9-13-3-5-16(19(21)15(13)10-12)25-17-7-8-22-20(26-17)24-14-4-6-18(27-2)23-11-14/h5,7-12,18-19H,2-4,6,13-17H2,1H3,(H,30,31,32);5-11,17-18H,2-4,12-16H2,1H3,(H,29,30,31);3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,27,33)(H2,28,29,30,31);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H2,27,28,29,30);3-9,11-12,24H,10,13H2,1-2H3,(H2,25,26,27,28);3-8,10-11H,9H2,1-2H3,(H2,22,24,25,26)
InChIKeyLKWVSTUILYIHTD-UHFFFAOYSA-N
XLogP31.31
TPSA451.30 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002616.04
LogP ≤ 531.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine 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
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;5-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]pent-1-en-3-one;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-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylprop-2-en-1-one
CID 157260814
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
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
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;2-anilino-N-[(4-methoxyphenyl)methyl]-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;2-anilino-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-3-en-2-one;N-[[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methyl]prop-2-enamide
CID 160219679
1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methyl]prop-2-enamide
CID 160406045
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 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine (CID 159380891) is 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine is CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCCN5CCCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCCCC5)c4)n3)c2F)C1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COc1ccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)cn1.
What is the InChIKey of 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine?
The InChIKey is LKWVSTUILYIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O2.C27H29FN4O2.C25H24FN5O2.C25H25FN4O2.C22H22FN5O2S.C20H18FN5O/c1-20-17-21-9-10-25(27(29)24(21)18-20)35-26-11-12-30-28(32-26)31-22-7-5-8-23(19-22)34-16-6-15-33-13-3-2-4-14-33;1-19-16-20-8-9-24(26(28)23(20)17-19)34-25-10-11-29-27(31-25)30-21-6-5-7-22(18-21)33-15-14-32-12-3-2-4-13-32;1-15-12-16-6-7-20(24(26)19(16)13-15)30-22-10-11-28-25(31-22)29-18-5-3-4-17(14-18)21(32)8-9-23(33)27-2;1-16-13-17-5-6-22(24(26)21(17)14-16)29-23-7-10-27-25(30-23)28-18-3-2-4-20(15-18)32-19-8-11-31-12-9-19;1-14-10-16-6-7-19(21(23)18(16)11-14)27-20-8-9-25-22(28-20)26-17-5-3-4-15(12-17)13-31(29,30)24-2;1-12-9-13-3-5-16(19(21)15(13)10-12)25-17-7-8-22-20(26-17)24-14-4-6-18(27-2)23-11-14/h5,7-12,18-19H,2-4,6,13-17H2,1H3,(H,30,31,32);5-11,17-18H,2-4,12-16H2,1H3,(H,29,30,31);3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,27,33)(H2,28,29,30,31);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H2,27,28,29,30);3-9,11-12,24H,10,13H2,1-2H3,(H2,25,26,27,28);3-8,10-11H,9H2,1-2H3,(H2,22,24,25,26).
What are the key properties of 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine?
1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine has a molecular weight of 2616.04 g/mol, XLogP of 31.31, 43 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(6-methoxy-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159380891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).