N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C147H148ClF9N44O9S3 — CID 172938308

IUPACN-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1OCCC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cncs2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCSC2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4nccs4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C4CCOC4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C25H27ClFN7O2.C25H24FN7O2.C25H28FN7OS.C24H20F4N8OS.C24H23FN8OS.C24H26FN7O2/c1-16-22(4-7-36-16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-23(27)24(32-25)34-5-8-35-9-6-34;1-17-11-18(23-3-2-8-35-23)13-21(12-17)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-6-9-34-10-7-33;1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33;25-20-14-31-23(34-21(20)36-4-6-37-7-5-36)35-32-13-17-1-2-18(12-30-17)33-19-10-15(22-29-3-8-38-22)9-16(11-19)24(26,27)28;1-16-8-17(22-14-26-15-35-22)10-20(9-16)30-19-3-2-18(27-11-19)12-29-32-24-28-13-21(25)23(31-24)33-4-6-34-7-5-33;25-22-15-27-24(30-23(22)32-7-10-33-11-8-32)31-28-14-20-4-5-21(13-26-20)29-19-3-1-2-17(12-19)18-6-9-34-16-18/h2-3,10-16,22,31H,4-9H2,1H3,(H,29,32,33);2-5,8,11-16,30H,6-7,9-10H2,1H3,(H,28,31,32);2-3,10-15,18,30H,4-9,16H2,1H3,(H,28,31,32);1-3,8-14,33H,4-7H2,(H,31,34,35);2-3,8-15,30H,4-7H2,1H3,(H,28,31,32);1-5,12-15,18,29H,6-11,16H2,(H,27,30,31)/b30-14+;29-15+;29-14+;32-13+;29-12+;28-14+
InChIKeyPDHUIQMUKVUBQW-YEDYZUFHSA-N
MW2977.74 g/mol
LogP26.94
Rot. Bonds42

About N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172938308) has the molecular formula C147H148ClF9N44O9S3 and a molecular weight of 2977.74 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172938308
Molecular FormulaC147H148ClF9N44O9S3
Molecular Weight2977.74 g/mol
Exact Mass2975.12
IUPAC NameN-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1OCCC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cncs2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCSC2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4nccs4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C4CCOC4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C25H27ClFN7O2.C25H24FN7O2.C25H28FN7OS.C24H20F4N8OS.C24H23FN8OS.C24H26FN7O2/c1-16-22(4-7-36-16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-23(27)24(32-25)34-5-8-35-9-6-34;1-17-11-18(23-3-2-8-35-23)13-21(12-17)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-6-9-34-10-7-33;1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33;25-20-14-31-23(34-21(20)36-4-6-37-7-5-36)35-32-13-17-1-2-18(12-30-17)33-19-10-15(22-29-3-8-38-22)9-16(11-19)24(26,27)28;1-16-8-17(22-14-26-15-35-22)10-20(9-16)30-19-3-2-18(27-11-19)12-29-32-24-28-13-21(25)23(31-24)33-4-6-34-7-5-33;25-22-15-27-24(30-23(22)32-7-10-33-11-8-32)31-28-14-20-4-5-21(13-26-20)29-19-3-1-2-17(12-19)18-6-9-34-16-18/h2-3,10-16,22,31H,4-9H2,1H3,(H,29,32,33);2-5,8,11-16,30H,6-7,9-10H2,1H3,(H,28,31,32);2-3,10-15,18,30H,4-9,16H2,1H3,(H,28,31,32);1-3,8-14,33H,4-7H2,(H,31,34,35);2-3,8-15,30H,4-7H2,1H3,(H,28,31,32);1-5,12-15,18,29H,6-11,16H2,(H,27,30,31)/b30-14+;29-15+;29-14+;32-13+;29-12+;28-14+
InChIKeyPDHUIQMUKVUBQW-YEDYZUFHSA-N
XLogP26.94
TPSA582.74 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds42
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002977.74
LogP ≤ 526.94
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Related Compounds

1-(3-Chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
CID 157542627
5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(thiolan-3-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-piperidin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 158064887
1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone
CID 158146200
1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 158506063
CID 158547794
CID 158547794
5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(thiolan-3-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 158606358
1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-(4-propan-2-ylphenyl)pyrimidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 159026590
5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(thiolan-3-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-piperidin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 159782615
CID 160046775
CID 160046775
CID 160057999
CID 160057999
6-[3-Chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 160198972
CID 160935476
CID 160935476

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172938308) is N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CC1OCCC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cncs2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCSC2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4nccs4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C4CCOC4)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is PDHUIQMUKVUBQW-YEDYZUFHSA-N. The full InChI is InChI=1S/C25H27ClFN7O2.C25H24FN7O2.C25H28FN7OS.C24H20F4N8OS.C24H23FN8OS.C24H26FN7O2/c1-16-22(4-7-36-16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-23(27)24(32-25)34-5-8-35-9-6-34;1-17-11-18(23-3-2-8-35-23)13-21(12-17)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-6-9-34-10-7-33;1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33;25-20-14-31-23(34-21(20)36-4-6-37-7-5-36)35-32-13-17-1-2-18(12-30-17)33-19-10-15(22-29-3-8-38-22)9-16(11-19)24(26,27)28;1-16-8-17(22-14-26-15-35-22)10-20(9-16)30-19-3-2-18(27-11-19)12-29-32-24-28-13-21(25)23(31-24)33-4-6-34-7-5-33;25-22-15-27-24(30-23(22)32-7-10-33-11-8-32)31-28-14-20-4-5-21(13-26-20)29-19-3-1-2-17(12-19)18-6-9-34-16-18/h2-3,10-16,22,31H,4-9H2,1H3,(H,29,32,33);2-5,8,11-16,30H,6-7,9-10H2,1H3,(H,28,31,32);2-3,10-15,18,30H,4-9,16H2,1H3,(H,28,31,32);1-3,8-14,33H,4-7H2,(H,31,34,35);2-3,8-15,30H,4-7H2,1H3,(H,28,31,32);1-5,12-15,18,29H,6-11,16H2,(H,27,30,31)/b30-14+;29-15+;29-14+;32-13+;29-12+;28-14+.
What are the key properties of N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2977.74 g/mol, XLogP of 26.94, 42 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172938308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).