8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

C304H326ClFN62O25S3 — CID 158140287

IUPAC8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESC#Cc1cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc2n(Cc2occc2Cl)c1=O.CC#Cc1cc2cnc(Nc3ccc(CC4CCNCC4)cc3)nc2n(Cc2ccoc2C(C)C)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(Cc2nccn2C)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccc(S(C)(=O)=O)c2)c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cnoc2C2CCCC2)c1=O.CCn1cccc1Cn1c(=O)c(C#CC2CCN(S(C)(=O)=O)CC2)cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc21.CN(C)C(=O)C#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2ccccc2-c2ccncc2)c1=O.CN(C)CCn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCC5)c(=O)n(Cc5ncoc5-c5ccccc5)c4n3)cc2)C1.COCCn1c(=O)c(C#CC2CC2)cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc21
InChIInChI=1S/C35H34N6O3.C34H31N7O2S.C33H40N8O3S.C31H34FN7O3S.C31H34N6O4.C30H33N5O2.C29H34N6O2.C28H31N7O2.C27H31N5O2.C26H24ClN5O2/c1-40-18-17-30(21-40)44-29-15-13-28(14-16-29)38-35-36-20-27-19-26(12-11-24-7-5-6-8-24)34(42)41(33(27)39-35)22-31-32(43-23-37-31)25-9-3-2-4-10-25;1-40(2)31(42)12-9-25-19-27-20-37-34(38-28-10-7-24(8-11-28)30-21-36-17-18-44-30)39-32(27)41(33(25)43)22-26-5-3-4-6-29(26)23-13-15-35-16-14-23;1-4-38-15-5-6-29(38)23-41-31-27(21-26(32(41)42)8-7-25-11-16-40(17-12-25)45(3,43)44)22-35-33(37-31)36-28-9-10-30(24(2)20-28)39-18-13-34-14-19-39;1-4-37(5-2)14-11-23-18-24-20-34-31(35-25-9-10-28(27(32)19-25)38-15-12-33-13-16-38)36-29(24)39(30(23)40)21-22-7-6-8-26(17-22)43(3,41)42;1-2-39-15-13-22-16-23-17-33-31(35-25-9-11-26(12-10-25)40-27-8-5-14-32-19-27)36-29(23)37(30(22)38)20-24-18-34-41-28(24)21-6-3-4-7-21;1-4-5-23-17-25-18-32-30(33-26-8-6-21(7-9-26)16-22-10-13-31-14-11-22)34-28(25)35(29(23)36)19-24-12-15-37-27(24)20(2)3;1-34(2)17-18-35-27-23(19-22(28(35)36)8-7-21-5-3-4-6-21)20-31-29(33-27)32-24-9-11-25(12-10-24)37-26-13-15-30-16-14-26;1-19(2)5-6-21-15-22-16-30-28(32-26(22)35(27(21)36)18-25-29-11-12-34(25)4)31-23-9-7-20(8-10-23)24-17-33(3)13-14-37-24;1-31-12-11-21(18-31)15-20-6-9-24(10-7-20)29-27-28-17-23-16-22(8-5-19-3-4-19)26(33)32(13-14-34-2)25(23)30-27;1-2-19-13-20-15-29-26(31-24(20)32(25(19)33)16-23-22(27)9-11-34-23)30-21-7-5-17(6-8-21)12-18-4-3-10-28-14-18/h2-4,9-10,13-16,19-20,23-24,30H,5-8,17-18,21-22H2,1H3,(H,36,38,39);3-8,10-11,13-16,19-20,30,36H,17-18,21-22H2,1-2H3,(H,37,38,39);5-6,9-10,15,20-22,25,34H,4,11-14,16-19,23H2,1-3H3,(H,35,36,37);6-10,17-20,33H,4-5,12-13,15-16,21H2,1-3H3,(H,34,35,36);9-12,16-18,21,27,32H,2-8,14,19-20H2,1H3,(H,33,35,36);6-9,12,15,17-18,20,22,31H,10-11,13-14,16,19H2,1-3H3,(H,32,33,34);5,9-12,19-20,26,30H,3-4,6,13-18H2,1-2H3,(H,31,32,33);7-12,15-16,19,24H,13-14,17-18H2,1-4H3,(H,30,31,32);6-7,9-10,16-17,19,21H,3-4,11-15,18H2,1-2H3,(H,28,29,30);1,5-9,11,13,15,18,28H,3-4,10,12,14,16H2,(H,29,30,31)
InChIKeyFTVUQAYGGHXUJA-UHFFFAOYSA-N
MW5399.01 g/mol
LogP41.38
Rot. Bonds68

About 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158140287) has the molecular formula C304H326ClFN62O25S3 and a molecular weight of 5399.01 g/mol. Its IUPAC name is 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
PubChem CID158140287
Molecular FormulaC304H326ClFN62O25S3
Molecular Weight5399.01 g/mol
Exact Mass5394.50
IUPAC Name8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESC#Cc1cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc2n(Cc2occc2Cl)c1=O.CC#Cc1cc2cnc(Nc3ccc(CC4CCNCC4)cc3)nc2n(Cc2ccoc2C(C)C)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(Cc2nccn2C)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccc(S(C)(=O)=O)c2)c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cnoc2C2CCCC2)c1=O.CCn1cccc1Cn1c(=O)c(C#CC2CCN(S(C)(=O)=O)CC2)cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc21.CN(C)C(=O)C#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2ccccc2-c2ccncc2)c1=O.CN(C)CCn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCC5)c(=O)n(Cc5ncoc5-c5ccccc5)c4n3)cc2)C1.COCCn1c(=O)c(C#CC2CC2)cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc21
InChIInChI=1S/C35H34N6O3.C34H31N7O2S.C33H40N8O3S.C31H34FN7O3S.C31H34N6O4.C30H33N5O2.C29H34N6O2.C28H31N7O2.C27H31N5O2.C26H24ClN5O2/c1-40-18-17-30(21-40)44-29-15-13-28(14-16-29)38-35-36-20-27-19-26(12-11-24-7-5-6-8-24)34(42)41(33(27)39-35)22-31-32(43-23-37-31)25-9-3-2-4-10-25;1-40(2)31(42)12-9-25-19-27-20-37-34(38-28-10-7-24(8-11-28)30-21-36-17-18-44-30)39-32(27)41(33(25)43)22-26-5-3-4-6-29(26)23-13-15-35-16-14-23;1-4-38-15-5-6-29(38)23-41-31-27(21-26(32(41)42)8-7-25-11-16-40(17-12-25)45(3,43)44)22-35-33(37-31)36-28-9-10-30(24(2)20-28)39-18-13-34-14-19-39;1-4-37(5-2)14-11-23-18-24-20-34-31(35-25-9-10-28(27(32)19-25)38-15-12-33-13-16-38)36-29(24)39(30(23)40)21-22-7-6-8-26(17-22)43(3,41)42;1-2-39-15-13-22-16-23-17-33-31(35-25-9-11-26(12-10-25)40-27-8-5-14-32-19-27)36-29(23)37(30(22)38)20-24-18-34-41-28(24)21-6-3-4-7-21;1-4-5-23-17-25-18-32-30(33-26-8-6-21(7-9-26)16-22-10-13-31-14-11-22)34-28(25)35(29(23)36)19-24-12-15-37-27(24)20(2)3;1-34(2)17-18-35-27-23(19-22(28(35)36)8-7-21-5-3-4-6-21)20-31-29(33-27)32-24-9-11-25(12-10-24)37-26-13-15-30-16-14-26;1-19(2)5-6-21-15-22-16-30-28(32-26(22)35(27(21)36)18-25-29-11-12-34(25)4)31-23-9-7-20(8-10-23)24-17-33(3)13-14-37-24;1-31-12-11-21(18-31)15-20-6-9-24(10-7-20)29-27-28-17-23-16-22(8-5-19-3-4-19)26(33)32(13-14-34-2)25(23)30-27;1-2-19-13-20-15-29-26(31-24(20)32(25(19)33)16-23-22(27)9-11-34-23)30-21-7-5-17(6-8-21)12-18-4-3-10-28-14-18/h2-4,9-10,13-16,19-20,23-24,30H,5-8,17-18,21-22H2,1H3,(H,36,38,39);3-8,10-11,13-16,19-20,30,36H,17-18,21-22H2,1-2H3,(H,37,38,39);5-6,9-10,15,20-22,25,34H,4,11-14,16-19,23H2,1-3H3,(H,35,36,37);6-10,17-20,33H,4-5,12-13,15-16,21H2,1-3H3,(H,34,35,36);9-12,16-18,21,27,32H,2-8,14,19-20H2,1H3,(H,33,35,36);6-9,12,15,17-18,20,22,31H,10-11,13-14,16,19H2,1-3H3,(H,32,33,34);5,9-12,19-20,26,30H,3-4,6,13-18H2,1-2H3,(H,31,32,33);7-12,15-16,19,24H,13-14,17-18H2,1-4H3,(H,30,31,32);6-7,9-10,16-17,19,21H,3-4,11-15,18H2,1-2H3,(H,28,29,30);1,5-9,11,13,15,18,28H,3-4,10,12,14,16H2,(H,29,30,31)
InChIKeyFTVUQAYGGHXUJA-UHFFFAOYSA-N
XLogP41.38
TPSA966.18 Ų
H-Bond Donors17
H-Bond Acceptors86
Rotatable Bonds68
Heavy Atoms396
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005399.01
LogP ≤ 541.38
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1086

Analyze 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (CID 158140287) is 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(CC4CCCNC4)cc3)nc2n(Cc2occc2Cl)c1=O.CC#Cc1cc2cnc(Nc3ccc(CC4CCNCC4)cc3)nc2n(Cc2ccoc2C(C)C)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(Cc2nccn2C)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccc(S(C)(=O)=O)c2)c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cnoc2C2CCCC2)c1=O.CCn1cccc1Cn1c(=O)c(C#CC2CCN(S(C)(=O)=O)CC2)cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc21.CN(C)C(=O)C#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2ccccc2-c2ccncc2)c1=O.CN(C)CCn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCC5)c(=O)n(Cc5ncoc5-c5ccccc5)c4n3)cc2)C1.COCCn1c(=O)c(C#CC2CC2)cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc21.
What is the InChIKey of 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FTVUQAYGGHXUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O3.C34H31N7O2S.C33H40N8O3S.C31H34FN7O3S.C31H34N6O4.C30H33N5O2.C29H34N6O2.C28H31N7O2.C27H31N5O2.C26H24ClN5O2/c1-40-18-17-30(21-40)44-29-15-13-28(14-16-29)38-35-36-20-27-19-26(12-11-24-7-5-6-8-24)34(42)41(33(27)39-35)22-31-32(43-23-37-31)25-9-3-2-4-10-25;1-40(2)31(42)12-9-25-19-27-20-37-34(38-28-10-7-24(8-11-28)30-21-36-17-18-44-30)39-32(27)41(33(25)43)22-26-5-3-4-6-29(26)23-13-15-35-16-14-23;1-4-38-15-5-6-29(38)23-41-31-27(21-26(32(41)42)8-7-25-11-16-40(17-12-25)45(3,43)44)22-35-33(37-31)36-28-9-10-30(24(2)20-28)39-18-13-34-14-19-39;1-4-37(5-2)14-11-23-18-24-20-34-31(35-25-9-10-28(27(32)19-25)38-15-12-33-13-16-38)36-29(24)39(30(23)40)21-22-7-6-8-26(17-22)43(3,41)42;1-2-39-15-13-22-16-23-17-33-31(35-25-9-11-26(12-10-25)40-27-8-5-14-32-19-27)36-29(23)37(30(22)38)20-24-18-34-41-28(24)21-6-3-4-7-21;1-4-5-23-17-25-18-32-30(33-26-8-6-21(7-9-26)16-22-10-13-31-14-11-22)34-28(25)35(29(23)36)19-24-12-15-37-27(24)20(2)3;1-34(2)17-18-35-27-23(19-22(28(35)36)8-7-21-5-3-4-6-21)20-31-29(33-27)32-24-9-11-25(12-10-24)37-26-13-15-30-16-14-26;1-19(2)5-6-21-15-22-16-30-28(32-26(22)35(27(21)36)18-25-29-11-12-34(25)4)31-23-9-7-20(8-10-23)24-17-33(3)13-14-37-24;1-31-12-11-21(18-31)15-20-6-9-24(10-7-20)29-27-28-17-23-16-22(8-5-19-3-4-19)26(33)32(13-14-34-2)25(23)30-27;1-2-19-13-20-15-29-26(31-24(20)32(25(19)33)16-23-22(27)9-11-34-23)30-21-7-5-17(6-8-21)12-18-4-3-10-28-14-18/h2-4,9-10,13-16,19-20,23-24,30H,5-8,17-18,21-22H2,1H3,(H,36,38,39);3-8,10-11,13-16,19-20,30,36H,17-18,21-22H2,1-2H3,(H,37,38,39);5-6,9-10,15,20-22,25,34H,4,11-14,16-19,23H2,1-3H3,(H,35,36,37);6-10,17-20,33H,4-5,12-13,15-16,21H2,1-3H3,(H,34,35,36);9-12,16-18,21,27,32H,2-8,14,19-20H2,1H3,(H,33,35,36);6-9,12,15,17-18,20,22,31H,10-11,13-14,16,19H2,1-3H3,(H,32,33,34);5,9-12,19-20,26,30H,3-4,6,13-18H2,1-2H3,(H,31,32,33);7-12,15-16,19,24H,13-14,17-18H2,1-4H3,(H,30,31,32);6-7,9-10,16-17,19,21H,3-4,11-15,18H2,1-2H3,(H,28,29,30);1,5-9,11,13,15,18,28H,3-4,10,12,14,16H2,(H,29,30,31).
What are the key properties of 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 5399.01 g/mol, XLogP of 41.38, 68 rotatable bonds, 17 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorofuran-2-yl)methyl]-6-ethynyl-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-phenyl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-(2-methoxyethyl)-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(2-pyridin-4-ylphenyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(1-ethylpyrrol-2-yl)methyl]-2-(3-methyl-4-piperazin-1-ylanilino)-6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylmethyl)anilino]-8-[(2-propan-2-ylfuran-3-yl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158140287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).