N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C117H110Cl2F8N45O5+ — CID 172954605

IUPACN-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1cc(-c2cn[nH]c2)ccc1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-[n+]4cc[nH]c4)cc3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cn[nH]c4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cn[nH]c4)cc3Cl)cn2)nc1N1CCOCC1
InChIInChI=1S/C24H21F4N9O.C24H24FN9O.2C23H21ClFN9O.C23H22FN9O/c25-20-14-30-23(34-22(20)37-7-9-38-10-8-37)36-32-13-16-1-2-17(12-29-16)33-15-3-4-18(21-5-6-31-35-21)19(11-15)24(26,27)28;1-16-10-17(18-11-28-29-12-18)2-5-22(16)31-20-4-3-19(26-13-20)14-30-33-24-27-15-21(25)23(32-24)34-6-8-35-9-7-34;24-19-9-15(16-10-28-29-11-16)1-4-21(19)31-18-3-2-17(26-12-18)13-30-33-23-27-14-20(25)22(32-23)34-5-7-35-8-6-34;24-20-9-16(3-4-19(20)15-10-28-29-11-15)31-18-2-1-17(26-12-18)13-30-33-23-27-14-21(25)22(32-23)34-5-7-35-8-6-34;24-21-15-27-23(30-22(21)32-9-11-34-12-10-32)31-28-14-18-1-2-19(13-26-18)29-17-3-5-20(6-4-17)33-8-7-25-16-33/h1-6,11-14,33H,7-10H2,(H,31,35)(H,30,34,36);2-5,10-15,31H,6-9H2,1H3,(H,28,29)(H,27,32,33);2*1-4,9-14,31H,5-8H2,(H,28,29)(H,27,32,33);1-8,13-16H,9-12H2,(H2,26,27,28,29,30,31)/p+1/b32-13+;30-14+;2*30-13+;
InChIKeyIRDWJPGCGOGNTK-OSNYTSFPSA-O
MW2449.37 g/mol
LogP18.98
Rot. Bonds35

About N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172954605) has the molecular formula C117H110Cl2F8N45O5+ and a molecular weight of 2449.37 g/mol. Its IUPAC name is N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172954605
Molecular FormulaC117H110Cl2F8N45O5+
Molecular Weight2449.37 g/mol
Exact Mass2446.90
IUPAC NameN-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1cc(-c2cn[nH]c2)ccc1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-[n+]4cc[nH]c4)cc3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cn[nH]c4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cn[nH]c4)cc3Cl)cn2)nc1N1CCOCC1
InChIInChI=1S/C24H21F4N9O.C24H24FN9O.2C23H21ClFN9O.C23H22FN9O/c25-20-14-30-23(34-22(20)37-7-9-38-10-8-37)36-32-13-16-1-2-17(12-29-16)33-15-3-4-18(21-5-6-31-35-21)19(11-15)24(26,27)28;1-16-10-17(18-11-28-29-12-18)2-5-22(16)31-20-4-3-19(26-13-20)14-30-33-24-27-15-21(25)23(32-24)34-6-8-35-9-7-34;24-19-9-15(16-10-28-29-11-16)1-4-21(19)31-18-3-2-17(26-12-18)13-30-33-23-27-14-20(25)22(32-23)34-5-7-35-8-6-34;24-20-9-16(3-4-19(20)15-10-28-29-11-15)31-18-2-1-17(26-12-18)13-30-33-23-27-14-21(25)22(32-23)34-5-7-35-8-6-34;24-21-15-27-23(30-22(21)32-9-11-34-12-10-32)31-28-14-18-1-2-19(13-26-18)29-17-3-5-20(6-4-17)33-8-7-25-16-33/h1-6,11-14,33H,7-10H2,(H,31,35)(H,30,34,36);2-5,10-15,31H,6-9H2,1H3,(H,28,29)(H,27,32,33);2*1-4,9-14,31H,5-8H2,(H,28,29)(H,27,32,33);1-8,13-16H,9-12H2,(H2,26,27,28,29,30,31)/p+1/b32-13+;30-14+;2*30-13+;
InChIKeyIRDWJPGCGOGNTK-OSNYTSFPSA-O
XLogP18.98
TPSA572.19 Ų
H-Bond Donors15
H-Bond Acceptors44
Rotatable Bonds35
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002449.37
LogP ≤ 518.98
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 157635039
4-chloro-1,3-dimethylindole;7-chloro-3-methyl-2H-indazole;1-cyclopropyl-3-methylindazole;1,3-dimethylindazole;3,7-dimethyl-2H-indazole;2,3-dimethyl-1H-indole;3,7-dimethyl-1H-indole;1,3-dimethylpyrazolo[5,4-b]pyridine;1,3-dimethylpyrazolo[4,5-c]pyridine;1,3-dimethylpyrazolo[3,4-d]pyrimidine;1,3-dimethylpyrrolo[2,3-b]pyridine;1,3-dimethylpyrrolo[3,2-b]pyridine;1,3-dimethylpyrrolo[2,3-c]pyridine;1,3-dimethylpyrrolo[3,2-c]pyridine;3,7-dimethyl-1H-pyrrolo[2,3-c]pyridine;1,3-dimethyl-7-(trifluoromethyl)indole;3-methyl-2H-indazole;3-methyl-1H-indole-7-carbonitrile;3-methyl-1-(trideuteriomethyl)indole;3-methyl-7-(trifluoromethyl)-2H-indazole;3-methyl-7-(trifluoromethyl)-1H-indole;1,3,4-trimethylindole;1,3,6-trimethylpyrrolo[2,3-b]pyridine;1,3,7-trimethylpyrrolo[2,3-c]pyridine
CID 158018596
1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline
CID 158099598
5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 159012436
7-chloro-1H-indazole;4-chloro-1-methylindole;1-cyclopropylindazole;1,3-dihydrobenzimidazol-2-one;1,4-dimethylindole;1,6-dimethylpyrrolo[2,3-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1H-indazole;1H-indole-7-carbonitrile;1-methylindazole;7-methyl-1H-indazole;2-methyl-1H-indole;7-methyl-1H-indole;1-methylpyrazolo[5,4-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[3,4-d]pyrimidine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;7-methyl-1H-pyrrolo[2,3-c]pyridine;1-methyl-7-(trifluoromethyl)indole;1-(trideuteriomethyl)indole;7-(trifluoromethyl)-1H-indazole;7-(trifluoromethyl)-1H-indole
CID 159440316
N-[4-[3-(5-chloro-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;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-(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 159449952
5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 159519588
2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 160764434
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 160851683
3-chloro-5-methyl-2H-indazole;7-chloro-5-methyl-1H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinazolin-2-amine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline;6-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;tris(2,4,6-trimethylpyridine)
CID 161222129
CID 161470465
CID 161470465
1-chloro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-N,1-N-diethyl-3-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-[2-(1,1-difluoroethyl)piperidin-1-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-N-(2-methoxyethyl)-1-N,3-dimethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline
CID 161519560

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172954605) is N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is Cc1cc(-c2cn[nH]c2)ccc1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-[n+]4cc[nH]c4)cc3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cn[nH]c4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cn[nH]c4)cc3Cl)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is IRDWJPGCGOGNTK-OSNYTSFPSA-O. The full InChI is InChI=1S/C24H21F4N9O.C24H24FN9O.2C23H21ClFN9O.C23H22FN9O/c25-20-14-30-23(34-22(20)37-7-9-38-10-8-37)36-32-13-16-1-2-17(12-29-16)33-15-3-4-18(21-5-6-31-35-21)19(11-15)24(26,27)28;1-16-10-17(18-11-28-29-12-18)2-5-22(16)31-20-4-3-19(26-13-20)14-30-33-24-27-15-21(25)23(32-24)34-6-8-35-9-7-34;24-19-9-15(16-10-28-29-11-16)1-4-21(19)31-18-3-2-17(26-12-18)13-30-33-23-27-14-20(25)22(32-23)34-5-7-35-8-6-34;24-20-9-16(3-4-19(20)15-10-28-29-11-15)31-18-2-1-17(26-12-18)13-30-33-23-27-14-21(25)22(32-23)34-5-7-35-8-6-34;24-21-15-27-23(30-22(21)32-9-11-34-12-10-32)31-28-14-18-1-2-19(13-26-18)29-17-3-5-20(6-4-17)33-8-7-25-16-33/h1-6,11-14,33H,7-10H2,(H,31,35)(H,30,34,36);2-5,10-15,31H,6-9H2,1H3,(H,28,29)(H,27,32,33);2*1-4,9-14,31H,5-8H2,(H,28,29)(H,27,32,33);1-8,13-16H,9-12H2,(H2,26,27,28,29,30,31)/p+1/b32-13+;30-14+;2*30-13+;.
What are the key properties of N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2449.37 g/mol, XLogP of 18.98, 35 rotatable bonds, 15 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172954605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).