About 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158213796) has the molecular formula C165H187Cl4F4N31O15S8
and a molecular weight of 3318.85 g/mol. Its IUPAC name is 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 158213796) is 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(CC5CCCN(C)C5)cc4)nc3n(CC)c2=O)c(Cl)c1)c1cncs1.C=S(=O)(c1cnc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(C(C)C)c2=O)c(Cl)c1)C1CCOCC1.C=S(C)(=O)c1cc(Cl)c(-c2cc3cnc(Nc4ccc(N5CCNC(C)C5)c(F)c4)nc3n(C3CCCC3)c2=O)c(Cl)c1.Cc1cc(S(=O)(=O)C2CCN(C)CC2)ccc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(CC2CC2)c1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)c(S(=O)CC(F)(F)F)c1.
What is the InChIKey of 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GCJWDFVGNNTQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O3S2.C34H40F3N7O4S2.C33H39ClN6O4S.C32H33ClN6O2S2.C31H33Cl2FN6O2S/c1-23-18-29(46(43,44)28-12-14-39(2)15-13-28)10-11-30(23)31-19-26-20-36-35(38-33(26)41(34(31)42)21-24-4-5-24)37-27-8-6-25(7-9-27)32-22-40(3)16-17-45-32;1-22-6-11-28(30(17-22)49(46)21-34(35,36)37)29-18-23-19-39-33(40-24-7-9-25(10-8-24)42(2)27-5-4-14-38-20-27)41-31(23)44(32(29)45)26-12-15-43(16-13-26)50(3,47)48;1-21(2)40-31-22(19-36-33(38-31)37-23-5-7-24(8-6-23)44-25-9-13-39(3)14-10-25)17-28(32(40)41)30-29(34)18-27(20-35-30)45(4,42)26-11-15-43-16-12-26;1-4-39-30-23(15-27(31(39)40)26-12-11-25(16-28(26)33)43(3,41)29-18-34-20-42-29)17-35-32(37-30)36-24-9-7-21(8-10-24)14-22-6-5-13-38(2)19-22;1-18-17-39(11-10-35-18)27-9-8-20(13-26(27)34)37-31-36-16-19-12-23(28-24(32)14-22(15-25(28)33)43(2,3)42)30(41)40(29(19)38-31)21-6-4-5-7-21/h6-11,18-20,24,28,32H,4-5,12-17,21-22H2,1-3H3,(H,36,37,38);6-11,17-19,26-27,38H,4-5,12-16,20-21H2,1-3H3,(H,39,40,41);5-8,17-21,25-26H,4,9-16H2,1-3H3,(H,36,37,38);7-12,15-18,20,22H,3-6,13-14,19H2,1-2H3,(H,35,36,37);8-9,12-16,18,21,35H,2,4-7,10-11,17H2,1,3H3,(H,36,37,38).
What are the key properties of 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3318.85 g/mol, XLogP of 28.65, 39 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-5-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]phenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2,6-dichloro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-methyl-4-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-methyl-2-(2,2,2-trifluoroethylsulfinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158213796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).