About 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane
2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane (PubChem CID 159680611) has the molecular formula C165H184Cl2F5N37O10S2
and a molecular weight of 3075.57 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane.
Frequently Asked Questions
What is the IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane?
The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane (CID 159680611) is 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane.
What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane?
The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane is C.C.CC1CNCCN1c1ccc(Nc2ncc3cc(-c4ncc(-c5ccncc5)cc4Cl)c(=O)n(C4CCOC4)c3n2)cc1F.CCn1c(=O)c(-c2c(C)nn(C3CCCC3)c2C)cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc21.CN(C)CCn1c(=O)c(-c2ccc(-c3ccccc3)cc2C(F)(F)F)cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccc(-c5nnco5)cc4F)c(=O)n(C4CCN(S(C)(=O)=O)CC4)c3n2)cc1)C1CCCNC1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCS5)cc4)nc3n(CC3CC3)c2=O)c(C2CCNC2)c1.
What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane?
The InChIKey is MVDVYBUYIYAOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClF3N7O.C33H36FN9O4S.C33H38N6OS.C32H30ClFN8O2.C31H39N7O2.2CH4/c1-43(2)16-17-45-31-24(21-40-33(42-31)41-25-9-11-30(29(35)20-25)44-14-12-39-13-15-44)18-27(32(45)46)26-10-8-23(19-28(26)34(36,37)38)22-6-4-3-5-7-22;1-41(26-4-3-13-35-19-26)24-8-6-23(7-9-24)38-33-36-18-22-16-28(27-10-5-21(17-29(27)34)31-40-37-20-47-31)32(44)43(30(22)39-33)25-11-14-42(15-12-25)48(2,45)46;1-21-3-10-27(28(15-21)24-11-12-34-17-24)29-16-25-18-35-33(37-31(25)39(32(29)40)19-22-4-5-22)36-26-8-6-23(7-9-26)30-20-38(2)13-14-41-30;1-19-15-36-9-10-41(19)28-3-2-23(14-27(28)34)39-32-38-17-22-12-25(31(43)42(30(22)40-32)24-6-11-44-18-24)29-26(33)13-21(16-37-29)20-4-7-35-8-5-20;1-5-37-29-22(17-27(30(37)39)28-20(2)35-38(21(28)3)24-9-6-7-10-24)18-32-31(34-29)33-23-12-14-25(15-13-23)40-26-11-8-16-36(4)19-26;;/h3-11,18-21,39H,12-17H2,1-2H3,(H,40,41,42);5-10,16-18,20,25-26,35H,3-4,11-15,19H2,1-2H3,(H,36,38,39);3,6-10,15-16,18,22,24,30,34H,4-5,11-14,17,19-20H2,1-2H3,(H,35,36,37);2-5,7-8,12-14,16-17,19,24,36H,6,9-11,15,18H2,1H3,(H,38,39,40);12-15,17-18,24,26H,5-11,16,19H2,1-4H3,(H,32,33,34);2*1H4.
What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane?
2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane has a molecular weight of 3075.57 g/mol, XLogP of 28.51, 36 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;methane is sourced from PubChem (CID 159680611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).