2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol

C227H214F6N40O18S — CID 159911382

IUPAC2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)c2F)C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)cc1.COCCNC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.COc1ccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)cn1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(CC4=CC(c5ccc(O)cc5)=NC4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4O)n3)ccc2[nH]1
InChIInChI=1S/C28H31FN6O2.C25H24FN3O2.C24H23FN4O3.C24H21N5O.C23H22FN3O4S.C23H22FN3O.C20H17FN4O2.3C20H18N4O/c1-19-15-21-5-6-24(27(29)23(21)16-19)33-25-7-8-31-28(34-25)32-22-4-2-3-20(17-22)18-26(36)30-9-10-35-11-13-37-14-12-35;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;1-15-12-16-6-7-20(22(25)19(16)13-15)32-21-8-9-27-24(29-21)28-18-5-3-4-17(14-18)23(30)26-10-11-31-2;1-15-10-18-13-19(4-7-21(18)27-15)28-23-8-9-25-24(29-23)12-16-11-22(26-14-16)17-2-5-20(30)6-3-17;1-15-12-18-19(26-15)6-7-20(23(18)24)31-22-8-9-25-21(27-22)14-16-4-3-5-17(13-16)30-10-11-32(2,28)29;1-3-4-16-5-8-18(9-6-16)26-23-25-12-11-21(27-23)28-20-10-7-17-13-15(2)14-19(17)22(20)24;1-12-9-13-3-5-16(19(21)15(13)10-12)27-18-7-8-22-20(25-18)24-14-4-6-17(26-2)23-11-14;1-13-10-15-12-16(4-7-18(15)22-13)23-19-8-9-21-20(24-19)11-14-2-5-17(25)6-3-14;1-13-9-15-12-16(5-6-18(15)22-13)23-19-7-8-21-20(24-19)11-14-3-2-4-17(25)10-14;1-13-10-15-11-16(6-7-17(15)22-13)23-19-8-9-21-20(24-19)12-14-4-2-3-5-18(14)25/h2-8,16-17H,9-15,18H2,1H3,(H,30,36)(H2,31,32,33,34);4-6,8,10-12,14-15H,3,7,9,13H2,1-2H3,(H,27,28,29);3-9,13-14H,10-12H2,1-2H3,(H,26,30)(H,27,28,29);2-11,13,27,30H,12,14H2,1H3,(H,25,28,29);3-9,12-13,26H,10-11,14H2,1-2H3;5-12,14H,3-4,13H2,1-2H3,(H,25,26,27);3-8,10-11H,9H2,1-2H3,(H,22,24,25);2*2-10,12,22,25H,11H2,1H3,(H,21,23,24);2-11,22,25H,12H2,1H3,(H,21,23,24)
InChIKeyNXFKTVRTVHPLEJ-UHFFFAOYSA-N
MW3936.53 g/mol
LogP46.96
Rot. Bonds61

About 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol

2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol (PubChem CID 159911382) has the molecular formula C227H214F6N40O18S and a molecular weight of 3936.53 g/mol. Its IUPAC name is 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol
PubChem CID159911382
Molecular FormulaC227H214F6N40O18S
Molecular Weight3936.53 g/mol
Exact Mass3933.67
IUPAC Name2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)c2F)C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)cc1.COCCNC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.COc1ccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)cn1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(CC4=CC(c5ccc(O)cc5)=NC4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4O)n3)ccc2[nH]1
InChIInChI=1S/C28H31FN6O2.C25H24FN3O2.C24H23FN4O3.C24H21N5O.C23H22FN3O4S.C23H22FN3O.C20H17FN4O2.3C20H18N4O/c1-19-15-21-5-6-24(27(29)23(21)16-19)33-25-7-8-31-28(34-25)32-22-4-2-3-20(17-22)18-26(36)30-9-10-35-11-13-37-14-12-35;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;1-15-12-16-6-7-20(22(25)19(16)13-15)32-21-8-9-27-24(29-21)28-18-5-3-4-17(14-18)23(30)26-10-11-31-2;1-15-10-18-13-19(4-7-21(18)27-15)28-23-8-9-25-24(29-23)12-16-11-22(26-14-16)17-2-5-20(30)6-3-17;1-15-12-18-19(26-15)6-7-20(23(18)24)31-22-8-9-25-21(27-22)14-16-4-3-5-17(13-16)30-10-11-32(2,28)29;1-3-4-16-5-8-18(9-6-16)26-23-25-12-11-21(27-23)28-20-10-7-17-13-15(2)14-19(17)22(20)24;1-12-9-13-3-5-16(19(21)15(13)10-12)27-18-7-8-22-20(25-18)24-14-4-6-17(26-2)23-11-14;1-13-10-15-12-16(4-7-18(15)22-13)23-19-8-9-21-20(24-19)11-14-2-5-17(25)6-3-14;1-13-9-15-12-16(5-6-18(15)22-13)23-19-7-8-21-20(24-19)11-14-3-2-4-17(25)10-14;1-13-10-15-11-16(6-7-17(15)22-13)23-19-8-9-21-20(24-19)12-14-4-2-3-5-18(14)25/h2-8,16-17H,9-15,18H2,1H3,(H,30,36)(H2,31,32,33,34);4-6,8,10-12,14-15H,3,7,9,13H2,1-2H3,(H,27,28,29);3-9,13-14H,10-12H2,1-2H3,(H,26,30)(H,27,28,29);2-11,13,27,30H,12,14H2,1H3,(H,25,28,29);3-9,12-13,26H,10-11,14H2,1-2H3;5-12,14H,3-4,13H2,1-2H3,(H,25,26,27);3-8,10-11H,9H2,1-2H3,(H,22,24,25);2*2-10,12,22,25H,11H2,1H3,(H,21,23,24);2-11,22,25H,12H2,1H3,(H,21,23,24)
InChIKeyNXFKTVRTVHPLEJ-UHFFFAOYSA-N
XLogP46.96
TPSA758.94 Ų
H-Bond Donors21
H-Bond Acceptors51
Rotatable Bonds61
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003936.53
LogP ≤ 546.96
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol with MolForge

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Related Compounds

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
CID 157490184
CID 157490184
N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391
N-[5-(2,4-difluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(2,4-difluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-[3-(2,2,3-trifluorobutoxy)phenyl]-3-pyridinyl]formamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-[3-(2,2,3-trifluorobutoxy)phenyl]pyridine-3-carboxamide
CID 157875386
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 159205109
(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;3-methyl-7-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]quinazolin-4-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159474590
(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159981095
(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)-4,4-difluoropentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160536492
CID 160974377
CID 160974377
3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 162140082

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol?
The IUPAC name of 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol (CID 159911382) is 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol.
What is the SMILES notation for 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol?
The canonical SMILES for 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol is CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)c2F)C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)cc1.COCCNC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.COc1ccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)cn1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(CC4=CC(c5ccc(O)cc5)=NC4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4O)n3)ccc2[nH]1.
What is the InChIKey of 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol?
The InChIKey is NXFKTVRTVHPLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O2.C25H24FN3O2.C24H23FN4O3.C24H21N5O.C23H22FN3O4S.C23H22FN3O.C20H17FN4O2.3C20H18N4O/c1-19-15-21-5-6-24(27(29)23(21)16-19)33-25-7-8-31-28(34-25)32-22-4-2-3-20(17-22)18-26(36)30-9-10-35-11-13-37-14-12-35;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;1-15-12-16-6-7-20(22(25)19(16)13-15)32-21-8-9-27-24(29-21)28-18-5-3-4-17(14-18)23(30)26-10-11-31-2;1-15-10-18-13-19(4-7-21(18)27-15)28-23-8-9-25-24(29-23)12-16-11-22(26-14-16)17-2-5-20(30)6-3-17;1-15-12-18-19(26-15)6-7-20(23(18)24)31-22-8-9-25-21(27-22)14-16-4-3-5-17(13-16)30-10-11-32(2,28)29;1-3-4-16-5-8-18(9-6-16)26-23-25-12-11-21(27-23)28-20-10-7-17-13-15(2)14-19(17)22(20)24;1-12-9-13-3-5-16(19(21)15(13)10-12)27-18-7-8-22-20(25-18)24-14-4-6-17(26-2)23-11-14;1-13-10-15-12-16(4-7-18(15)22-13)23-19-8-9-21-20(24-19)11-14-2-5-17(25)6-3-14;1-13-9-15-12-16(5-6-18(15)22-13)23-19-7-8-21-20(24-19)11-14-3-2-4-17(25)10-14;1-13-10-15-11-16(6-7-17(15)22-13)23-19-8-9-21-20(24-19)12-14-4-2-3-5-18(14)25/h2-8,16-17H,9-15,18H2,1H3,(H,30,36)(H2,31,32,33,34);4-6,8,10-12,14-15H,3,7,9,13H2,1-2H3,(H,27,28,29);3-9,13-14H,10-12H2,1-2H3,(H,26,30)(H,27,28,29);2-11,13,27,30H,12,14H2,1H3,(H,25,28,29);3-9,12-13,26H,10-11,14H2,1-2H3;5-12,14H,3-4,13H2,1-2H3,(H,25,26,27);3-8,10-11H,9H2,1-2H3,(H,22,24,25);2*2-10,12,22,25H,11H2,1H3,(H,21,23,24);2-11,22,25H,12H2,1H3,(H,21,23,24).
What are the key properties of 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol?
2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol has a molecular weight of 3936.53 g/mol, XLogP of 46.96, 61 rotatable bonds, 21 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(6-methoxy-3-pyridinyl)pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-fluoro-2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;2-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-2H-pyrrol-5-yl]phenol is sourced from PubChem (CID 159911382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).