azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine

C118H105Cl4F5N26O9S4 — CID 161366537

IUPACazetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3cc(Nc4ccnc(C)n4)ncc3F)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C)n4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C5CC5)n4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4nccc(C)n4)c3)c2C)c(F)c1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCC4)c3)ccn2)n1
InChIInChI=1S/C26H23ClFN5O2S.C24H20ClF2N5O2S.2C24H21ClFN5O2S.C20H20N6O/c1-15-3-6-22(21(28)11-15)36(34,35)14-20-16(2)19(13-31-25(20)27)18-7-9-29-24(12-18)32-23-8-10-30-26(33-23)17-4-5-17;1-13-4-5-21(19(26)8-13)35(33,34)12-18-14(2)17(10-30-24(18)25)16-9-23(29-11-20(16)27)32-22-6-7-28-15(3)31-22;1-14-4-5-21(20(26)10-14)34(32,33)13-19-15(2)18(12-29-24(19)25)17-6-8-28-23(11-17)31-22-7-9-27-16(3)30-22;1-14-4-5-21(20(26)10-14)34(32,33)13-19-16(3)18(12-29-23(19)25)17-7-9-27-22(11-17)31-24-28-8-6-15(2)30-24;1-13-17(20(27)26-8-3-9-26)10-16(12-23-13)15-4-6-22-19(11-15)25-18-5-7-21-14(2)24-18/h3,6-13,17H,4-5,14H2,1-2H3,(H,29,30,32,33);4-11H,12H2,1-3H3,(H,28,29,31,32);2*4-12H,13H2,1-3H3,(H,27,28,30,31);4-7,10-12H,3,8-9H2,1-2H3,(H,21,22,24,25)
InChIKeyVPWRLUNHVOCQLT-UHFFFAOYSA-N
MW2396.38 g/mol
LogP25.32
Rot. Bonds29

About azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine

azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine (PubChem CID 161366537) has the molecular formula C118H105Cl4F5N26O9S4 and a molecular weight of 2396.38 g/mol. Its IUPAC name is azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Nameazetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
PubChem CID161366537
Molecular FormulaC118H105Cl4F5N26O9S4
Molecular Weight2396.38 g/mol
Exact Mass2392.61
IUPAC Nameazetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3cc(Nc4ccnc(C)n4)ncc3F)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C)n4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C5CC5)n4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4nccc(C)n4)c3)c2C)c(F)c1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCC4)c3)ccn2)n1
InChIInChI=1S/C26H23ClFN5O2S.C24H20ClF2N5O2S.2C24H21ClFN5O2S.C20H20N6O/c1-15-3-6-22(21(28)11-15)36(34,35)14-20-16(2)19(13-31-25(20)27)18-7-9-29-24(12-18)32-23-8-10-30-26(33-23)17-4-5-17;1-13-4-5-21(19(26)8-13)35(33,34)12-18-14(2)17(10-30-24(18)25)16-9-23(29-11-20(16)27)32-22-6-7-28-15(3)31-22;1-14-4-5-21(20(26)10-14)34(32,33)13-19-15(2)18(12-29-24(19)25)17-6-8-28-23(11-17)31-22-7-9-27-16(3)30-22;1-14-4-5-21(20(26)10-14)34(32,33)13-19-16(3)18(12-29-23(19)25)17-7-9-27-22(11-17)31-24-28-8-6-15(2)30-24;1-13-17(20(27)26-8-3-9-26)10-16(12-23-13)15-4-6-22-19(11-15)25-18-5-7-21-14(2)24-18/h3,6-13,17H,4-5,14H2,1-2H3,(H,29,30,32,33);4-11H,12H2,1-3H3,(H,28,29,31,32);2*4-12H,13H2,1-3H3,(H,27,28,30,31);4-7,10-12H,3,8-9H2,1-2H3,(H,21,22,24,25)
InChIKeyVPWRLUNHVOCQLT-UHFFFAOYSA-N
XLogP25.32
TPSA474.82 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002396.38
LogP ≤ 525.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2-fluoro-4-methyl-N-[2-methyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 158330789
5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 158867818
N-[4-[(4-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 159047716
6-(2-Chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 159254654
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-phenylpyrimidin-4-amine;bis(N-[5-[2-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide);2,4-difluoro-N-[2-methyl-5-[2-(pyrimidin-2-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N,N-dimethyl-1-[2-methyl-5-[2-(4-methylimidazo[4,5-c]pyridin-1-yl)-4-pyridinyl]-3-pyridinyl]methanesulfonamide;N,N,2-trimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
CID 160164426
2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 160600291
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
CID 161373706
5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 161377186
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2-fluoro-4-methyl-N-[2-methyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 161576437
N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one
CID 162193320
N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide
CID 162205686
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 157063519

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?
The IUPAC name of azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine (CID 161366537) is azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine is Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3cc(Nc4ccnc(C)n4)ncc3F)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C)n4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C5CC5)n4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4nccc(C)n4)c3)c2C)c(F)c1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCC4)c3)ccn2)n1.
What is the InChIKey of azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?
The InChIKey is VPWRLUNHVOCQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2S.C24H20ClF2N5O2S.2C24H21ClFN5O2S.C20H20N6O/c1-15-3-6-22(21(28)11-15)36(34,35)14-20-16(2)19(13-31-25(20)27)18-7-9-29-24(12-18)32-23-8-10-30-26(33-23)17-4-5-17;1-13-4-5-21(19(26)8-13)35(33,34)12-18-14(2)17(10-30-24(18)25)16-9-23(29-11-20(16)27)32-22-6-7-28-15(3)31-22;1-14-4-5-21(20(26)10-14)34(32,33)13-19-15(2)18(12-29-24(19)25)17-6-8-28-23(11-17)31-22-7-9-27-16(3)30-22;1-14-4-5-21(20(26)10-14)34(32,33)13-19-16(3)18(12-29-23(19)25)17-7-9-27-22(11-17)31-24-28-8-6-15(2)30-24;1-13-17(20(27)26-8-3-9-26)10-16(12-23-13)15-4-6-22-19(11-15)25-18-5-7-21-14(2)24-18/h3,6-13,17H,4-5,14H2,1-2H3,(H,29,30,32,33);4-11H,12H2,1-3H3,(H,28,29,31,32);2*4-12H,13H2,1-3H3,(H,27,28,30,31);4-7,10-12H,3,8-9H2,1-2H3,(H,21,22,24,25).
What are the key properties of azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?
azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine has a molecular weight of 2396.38 g/mol, XLogP of 25.32, 29 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 161366537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).