6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine

C174H131F8N47O2S — CID 158303045

IUPAC6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc(-c3cc4cccnc4cn3)c2F)cnc1-c1ccnc(C)c1.COc1cc(CNc2ncnc(-c3ccc4ncccc4c3)c2F)cnc1-c1ccnc(C)c1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5nccn5c4)c3F)cc2)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4cc5cccnc5cn4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cc2C)ccn1.[C-]#[N+]c1cc(CNc2ncnc(-c3cc4cccnc4cn3)c2F)cnc1-c1ccnc(C)c1.[C-]#[N+]c1cc(CNc2ncnc(-c3ccc4ncccc4c3)c2F)cnc1-c1ccnc(C)c1
InChIInChI=1S/C26H18FN7.C26H21FN6O.C25H17FN8.C25H20FN7O.C24H17F2N7.C24H19FN6S.C24H19FN6/c1-16-10-20(7-9-29-16)24-22(28-2)11-17(13-31-24)14-32-26-23(27)25(33-15-34-26)19-5-6-21-18(12-19)4-3-8-30-21;1-16-10-20(7-9-28-16)24-22(34-2)11-17(13-30-24)14-31-26-23(27)25(32-15-33-26)19-5-6-21-18(12-19)4-3-8-29-21;1-15-8-18(5-7-28-15)23-19(27-2)9-16(11-31-23)12-32-25-22(26)24(33-14-34-25)20-10-17-4-3-6-29-21(17)13-30-20;1-15-8-18(5-7-27-15)23-21(34-2)9-16(11-30-23)12-31-25-22(26)24(32-14-33-25)19-10-17-4-3-6-28-20(17)13-29-19;1-14-7-17(4-6-27-14)22-18(25)8-15(10-30-22)11-31-24-21(26)23(32-13-33-24)19-9-16-3-2-5-28-20(16)12-29-19;1-14-7-16(10-27-22(14)18-5-6-26-15(2)8-18)11-28-24-21(25)23(29-12-30-24)17-3-4-19-20(9-17)32-13-31-19;1-16-12-19(8-9-26-16)18-4-2-17(3-5-18)13-28-24-22(25)23(29-15-30-24)20-6-7-21-27-10-11-31(21)14-20/h3-13,15H,14H2,1H3,(H,32,33,34);3-13,15H,14H2,1-2H3,(H,31,32,33);3-11,13-14H,12H2,1H3,(H,32,33,34);3-11,13-14H,12H2,1-2H3,(H,31,32,33);2-10,12-13H,11H2,1H3,(H,31,32,33);3-10,12-13H,11H2,1-2H3,(H,28,29,30);2-12,14-15H,13H2,1H3,(H,28,29,30)
InChIKeyGMSQOIXUPFAQQL-UHFFFAOYSA-N
MW3096.34 g/mol
LogP35.98
Rot. Bonds37

About 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine

6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine (PubChem CID 158303045) has the molecular formula C174H131F8N47O2S and a molecular weight of 3096.34 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine
PubChem CID158303045
Molecular FormulaC174H131F8N47O2S
Molecular Weight3096.34 g/mol
Exact Mass3094.12
IUPAC Name6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc(-c3cc4cccnc4cn3)c2F)cnc1-c1ccnc(C)c1.COc1cc(CNc2ncnc(-c3ccc4ncccc4c3)c2F)cnc1-c1ccnc(C)c1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5nccn5c4)c3F)cc2)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4cc5cccnc5cn4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cc2C)ccn1.[C-]#[N+]c1cc(CNc2ncnc(-c3cc4cccnc4cn3)c2F)cnc1-c1ccnc(C)c1.[C-]#[N+]c1cc(CNc2ncnc(-c3ccc4ncccc4c3)c2F)cnc1-c1ccnc(C)c1
InChIInChI=1S/C26H18FN7.C26H21FN6O.C25H17FN8.C25H20FN7O.C24H17F2N7.C24H19FN6S.C24H19FN6/c1-16-10-20(7-9-29-16)24-22(28-2)11-17(13-31-24)14-32-26-23(27)25(33-15-34-26)19-5-6-21-18(12-19)4-3-8-30-21;1-16-10-20(7-9-28-16)24-22(34-2)11-17(13-30-24)14-31-26-23(27)25(32-15-33-26)19-5-6-21-18(12-19)4-3-8-29-21;1-15-8-18(5-7-28-15)23-19(27-2)9-16(11-31-23)12-32-25-22(26)24(33-14-34-25)20-10-17-4-3-6-29-21(17)13-30-20;1-15-8-18(5-7-27-15)23-21(34-2)9-16(11-30-23)12-31-25-22(26)24(32-14-33-25)19-10-17-4-3-6-28-20(17)13-29-19;1-14-7-17(4-6-27-14)22-18(25)8-15(10-30-22)11-31-24-21(26)23(32-13-33-24)19-9-16-3-2-5-28-20(16)12-29-19;1-14-7-16(10-27-22(14)18-5-6-26-15(2)8-18)11-28-24-21(25)23(29-12-30-24)17-3-4-19-20(9-17)32-13-31-19;1-16-12-19(8-9-26-16)18-4-2-17(3-5-18)13-28-24-22(25)23(29-15-30-24)20-6-7-21-27-10-11-31(21)14-20/h3-13,15H,14H2,1H3,(H,32,33,34);3-13,15H,14H2,1-2H3,(H,31,32,33);3-11,13-14H,12H2,1H3,(H,32,33,34);3-11,13-14H,12H2,1-2H3,(H,31,32,33);2-10,12-13H,11H2,1H3,(H,31,32,33);3-10,12-13H,11H2,1-2H3,(H,28,29,30);2-12,14-15H,13H2,1H3,(H,28,29,30)
InChIKeyGMSQOIXUPFAQQL-UHFFFAOYSA-N
XLogP35.98
TPSA592.73 Ų
H-Bond Donors7
H-Bond Acceptors48
Rotatable Bonds37
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003096.34
LogP ≤ 535.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 68110991
2-[4-(difluoromethoxy)anilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile;2-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 160146086
N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 58015484
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 157407809
4-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;7-fluoro-5-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 157572144
1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;2-methoxy-3-propan-2-ylpyridine;5-methyl-1-(4-methylphenyl)-4-propan-2-ylpyrazole;6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine;2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline
CID 158824018
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 160183082
N,5-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzothiazol-2-imine;N,6-dimethyl-1,3-benzothiazol-2-amine;1,6-dimethyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;N,7-dimethylisoquinolin-1-amine;N,6-dimethylpyridin-2-amine;N,7-dimethylquinolin-2-amine;N,3-dimethylthieno[3,2-b]pyridin-5-amine;6-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 161245939
6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 161423974
2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline
CID 161701359
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 161886258
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 162145729

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine (CID 158303045) is 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine is COc1cc(CNc2ncnc(-c3cc4cccnc4cn3)c2F)cnc1-c1ccnc(C)c1.COc1cc(CNc2ncnc(-c3ccc4ncccc4c3)c2F)cnc1-c1ccnc(C)c1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5nccn5c4)c3F)cc2)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4cc5cccnc5cn4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cc2C)ccn1.[C-]#[N+]c1cc(CNc2ncnc(-c3cc4cccnc4cn3)c2F)cnc1-c1ccnc(C)c1.[C-]#[N+]c1cc(CNc2ncnc(-c3ccc4ncccc4c3)c2F)cnc1-c1ccnc(C)c1.
What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine?
The InChIKey is GMSQOIXUPFAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN7.C26H21FN6O.C25H17FN8.C25H20FN7O.C24H17F2N7.C24H19FN6S.C24H19FN6/c1-16-10-20(7-9-29-16)24-22(28-2)11-17(13-31-24)14-32-26-23(27)25(33-15-34-26)19-5-6-21-18(12-19)4-3-8-30-21;1-16-10-20(7-9-28-16)24-22(34-2)11-17(13-30-24)14-31-26-23(27)25(32-15-33-26)19-5-6-21-18(12-19)4-3-8-29-21;1-15-8-18(5-7-28-15)23-19(27-2)9-16(11-31-23)12-32-25-22(26)24(33-14-34-25)20-10-17-4-3-6-29-21(17)13-30-20;1-15-8-18(5-7-27-15)23-21(34-2)9-16(11-30-23)12-31-25-22(26)24(32-14-33-25)19-10-17-4-3-6-28-20(17)13-29-19;1-14-7-17(4-6-27-14)22-18(25)8-15(10-30-22)11-31-24-21(26)23(32-13-33-24)19-9-16-3-2-5-28-20(16)12-29-19;1-14-7-16(10-27-22(14)18-5-6-26-15(2)8-18)11-28-24-21(25)23(29-12-30-24)17-3-4-19-20(9-17)32-13-31-19;1-16-12-19(8-9-26-16)18-4-2-17(3-5-18)13-28-24-22(25)23(29-15-30-24)20-6-7-21-27-10-11-31(21)14-20/h3-13,15H,14H2,1H3,(H,32,33,34);3-13,15H,14H2,1-2H3,(H,31,32,33);3-11,13-14H,12H2,1H3,(H,32,33,34);3-11,13-14H,12H2,1-2H3,(H,31,32,33);2-10,12-13H,11H2,1H3,(H,31,32,33);3-10,12-13H,11H2,1-2H3,(H,28,29,30);2-12,14-15H,13H2,1H3,(H,28,29,30).
What are the key properties of 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine?
6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine has a molecular weight of 3096.34 g/mol, XLogP of 35.98, 37 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-6-imidazo[1,2-a]pyridin-6-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-isocyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(1,7-naphthyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 158303045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).