5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine

C152H139F22N49O5 — CID 172963882

IUPAC5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine
SMILESCc1cn(-c2cc(Nc3ccc(/C=N/Nc4nc(C)cc(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4nc(C)cc(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1.Fc1cnc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cc2)nc1N1CCOCC1.O=C(O)CNc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F
InChIInChI=1S/C28H31F3N10O.C27H28F4N10O.C27H21F4N9.C27H22F3N9.C23H21F4N5O.C20H16F4N6O2/c1-19-11-26(32-5-6-40-7-9-42-10-8-40)38-27(36-19)39-35-16-22-3-4-23(15-33-22)37-24-12-21(28(29,30)31)13-25(14-24)41-17-20(2)34-18-41;1-18-16-41(17-35-18)23-11-19(27(29,30)31)10-22(12-23)37-21-3-2-20(33-13-21)14-36-39-26-34-15-24(28)25(38-26)32-4-5-40-6-8-42-9-7-40;1-16-5-18(10-32-9-16)25-24(28)13-34-26(38-25)39-36-12-20-3-4-21(11-33-20)37-22-6-19(27(29,30)31)7-23(8-22)40-14-17(2)35-15-40;1-17-8-25(19-4-3-7-31-12-19)37-26(35-17)38-34-14-21-5-6-22(13-32-21)36-23-9-20(27(28,29)30)10-24(11-23)39-15-18(2)33-16-39;24-20-14-29-21(31-22(20)32-8-10-33-11-9-32)15-28-13-16-4-6-18(7-5-16)30-19-3-1-2-17(12-19)23(25,26)27;21-16-9-27-17(30-19(16)28-11-18(31)32)10-25-7-14-4-5-15(8-26-14)29-13-3-1-2-12(6-13)20(22,23)24/h3-4,11-18,37H,5-10H2,1-2H3,(H2,32,36,38,39);2-3,10-17,37H,4-9H2,1H3,(H2,32,34,38,39);3-15,37H,1-2H3,(H,34,38,39);3-16,36H,1-2H3,(H,35,37,38);1-7,12-14,30H,8-11,15H2;1-9,29H,10-11H2,(H,31,32)(H,27,28,30)/b35-16+;36-14+;36-12+;34-14+;28-13+;25-7+
InChIKeyWSTWTMAWESZYCT-REBYYGETSA-N
MW3150.08 g/mol
LogP29.83
Rot. Bonds48

About 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine

5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine (PubChem CID 172963882) has the molecular formula C152H139F22N49O5 and a molecular weight of 3150.08 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine
PubChem CID172963882
Molecular FormulaC152H139F22N49O5
Molecular Weight3150.08 g/mol
Exact Mass3148.18
IUPAC Name5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine
SMILESCc1cn(-c2cc(Nc3ccc(/C=N/Nc4nc(C)cc(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4nc(C)cc(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1.Fc1cnc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cc2)nc1N1CCOCC1.O=C(O)CNc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F
InChIInChI=1S/C28H31F3N10O.C27H28F4N10O.C27H21F4N9.C27H22F3N9.C23H21F4N5O.C20H16F4N6O2/c1-19-11-26(32-5-6-40-7-9-42-10-8-40)38-27(36-19)39-35-16-22-3-4-23(15-33-22)37-24-12-21(28(29,30)31)13-25(14-24)41-17-20(2)34-18-41;1-18-16-41(17-35-18)23-11-19(27(29,30)31)10-22(12-23)37-21-3-2-20(33-13-21)14-36-39-26-34-15-24(28)25(38-26)32-4-5-40-6-8-42-9-7-40;1-16-5-18(10-32-9-16)25-24(28)13-34-26(38-25)39-36-12-20-3-4-21(11-33-20)37-22-6-19(27(29,30)31)7-23(8-22)40-14-17(2)35-15-40;1-17-8-25(19-4-3-7-31-12-19)37-26(35-17)38-34-14-21-5-6-22(13-32-21)36-23-9-20(27(28,29)30)10-24(11-23)39-15-18(2)33-16-39;24-20-14-29-21(31-22(20)32-8-10-33-11-9-32)15-28-13-16-4-6-18(7-5-16)30-19-3-1-2-17(12-19)23(25,26)27;21-16-9-27-17(30-19(16)28-11-18(31)32)10-25-7-14-4-5-15(8-26-14)29-13-3-1-2-12(6-13)20(22,23)24/h3-4,11-18,37H,5-10H2,1-2H3,(H2,32,36,38,39);2-3,10-17,37H,4-9H2,1H3,(H2,32,34,38,39);3-15,37H,1-2H3,(H,34,38,39);3-16,36H,1-2H3,(H,35,37,38);1-7,12-14,30H,8-11,15H2;1-9,29H,10-11H2,(H,31,32)(H,27,28,30)/b35-16+;36-14+;36-12+;34-14+;28-13+;25-7+
InChIKeyWSTWTMAWESZYCT-REBYYGETSA-N
XLogP29.83
TPSA621.45 Ų
H-Bond Donors14
H-Bond Acceptors53
Rotatable Bonds48
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003150.08
LogP ≤ 529.83
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;5-fluoro-N-[(Z)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 91087283
N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyridine-2-carbohydrazide;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 157124510
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157335128
1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-hydroxypropan-1-one;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine;methyl 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetate
CID 157589296
1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-5-(2-methyl-4-pyridinyl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine;1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-6-(2-methyl-4-pyridinyl)-N-(1H-pyrazol-5-yl)benzimidazol-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 157769957
N-[4-[(dimethylamino)methyl]phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[3-(1-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(2-morpholin-4-ylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;1-[3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]imidazolidin-2-one;3-methyl-N-(4-pyrimidin-2-ylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 158017945
N-[5-[(1-cyclopropylpiperidin-4-ylidene)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[1-(2,2-difluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;3-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]propan-1-ol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 158030610
CID 159079625
CID 159079625
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159795356
N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 160186876
8-(dimethylamino)-3-[2-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 160345454
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 160350461

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine (CID 172963882) is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine is Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4nc(C)cc(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4nc(C)cc(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1.Fc1cnc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cc2)nc1N1CCOCC1.O=C(O)CNc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.
What is the InChIKey of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is WSTWTMAWESZYCT-REBYYGETSA-N. The full InChI is InChI=1S/C28H31F3N10O.C27H28F4N10O.C27H21F4N9.C27H22F3N9.C23H21F4N5O.C20H16F4N6O2/c1-19-11-26(32-5-6-40-7-9-42-10-8-40)38-27(36-19)39-35-16-22-3-4-23(15-33-22)37-24-12-21(28(29,30)31)13-25(14-24)41-17-20(2)34-18-41;1-18-16-41(17-35-18)23-11-19(27(29,30)31)10-22(12-23)37-21-3-2-20(33-13-21)14-36-39-26-34-15-24(28)25(38-26)32-4-5-40-6-8-42-9-7-40;1-16-5-18(10-32-9-16)25-24(28)13-34-26(38-25)39-36-12-20-3-4-21(11-33-20)37-22-6-19(27(29,30)31)7-23(8-22)40-14-17(2)35-15-40;1-17-8-25(19-4-3-7-31-12-19)37-26(35-17)38-34-14-21-5-6-22(13-32-21)36-23-9-20(27(28,29)30)10-24(11-23)39-15-18(2)33-16-39;24-20-14-29-21(31-22(20)32-8-10-33-11-9-32)15-28-13-16-4-6-18(7-5-16)30-19-3-1-2-17(12-19)23(25,26)27;21-16-9-27-17(30-19(16)28-11-18(31)32)10-25-7-14-4-5-15(8-26-14)29-13-3-1-2-12(6-13)20(22,23)24/h3-4,11-18,37H,5-10H2,1-2H3,(H2,32,36,38,39);2-3,10-17,37H,4-9H2,1H3,(H2,32,34,38,39);3-15,37H,1-2H3,(H,34,38,39);3-16,36H,1-2H3,(H,35,37,38);1-7,12-14,30H,8-11,15H2;1-9,29H,10-11H2,(H,31,32)(H,27,28,30)/b35-16+;36-14+;36-12+;34-14+;28-13+;25-7+.
What are the key properties of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine?
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 3150.08 g/mol, XLogP of 29.83, 48 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenyl]-3-(trifluoromethyl)aniline;2-[[5-fluoro-2-[[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 172963882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).