6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one

C140H156ClN27O9S3 — CID 158384719

IUPAC6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2ccsc2C2=CCCC2)c1=O)C1CCOCC1.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ncn(C)c5C5CCOCC5)c4n3)cc2)CC1.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(Cc3ncsc3C3CCNC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2sccc2C2CC2)c1=O
InChIInChI=1S/C36H43N9O2.C36H41N5O3S.C34H36ClN7O2S.C34H36N6O2S/c1-42-17-13-29(14-18-42)39-27-9-11-28(12-10-27)40-36-37-22-26-21-32(44(3)30-7-5-4-6-8-30)35(46)45(34(26)41-36)23-31-33(43(2)24-38-31)25-15-19-47-20-16-25;1-24(25-13-17-43-18-14-25)32-20-28-21-37-36(38-29-9-11-30(12-10-29)44-31-8-5-16-40(2)23-31)39-34(28)41(35(32)42)22-27-15-19-45-33(27)26-6-3-4-7-26;1-21-3-8-27(29(35)15-21)28-16-23-18-37-34(39-24-4-6-25(7-5-24)44-26-10-13-41(2)14-11-26)40-32(23)42(33(28)43)19-30-31(45-20-38-30)22-9-12-36-17-22;1-22-6-3-4-8-29(22)42-30-18-24-19-36-34(37-25-11-13-26(14-12-25)39(2)27-7-5-16-35-20-27)38-32(24)40(33(30)41)21-31-28(15-17-43-31)23-9-10-23/h4-12,21-22,24-25,29,39H,13-20,23H2,1-3H3,(H,37,40,41);6,9-12,15,19-21,25,31H,1,3-5,7-8,13-14,16-18,22-23H2,2H3,(H,37,38,39);3-8,15-16,18,20,22,26,36H,9-14,17,19H2,1-2H3,(H,37,39,40);3-4,6,8,11-15,17-19,23,27,35H,5,7,9-10,16,20-21H2,1-2H3,(H,36,37,38)
InChIKeyGWFOMMSVVYSWKS-UHFFFAOYSA-N
MW2492.62 g/mol
LogP25.64
Rot. Bonds35

About 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158384719) has the molecular formula C140H156ClN27O9S3 and a molecular weight of 2492.62 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158384719
Molecular FormulaC140H156ClN27O9S3
Molecular Weight2492.62 g/mol
Exact Mass2490.14
IUPAC Name6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2ccsc2C2=CCCC2)c1=O)C1CCOCC1.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ncn(C)c5C5CCOCC5)c4n3)cc2)CC1.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(Cc3ncsc3C3CCNC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2sccc2C2CC2)c1=O
InChIInChI=1S/C36H43N9O2.C36H41N5O3S.C34H36ClN7O2S.C34H36N6O2S/c1-42-17-13-29(14-18-42)39-27-9-11-28(12-10-27)40-36-37-22-26-21-32(44(3)30-7-5-4-6-8-30)35(46)45(34(26)41-36)23-31-33(43(2)24-38-31)25-15-19-47-20-16-25;1-24(25-13-17-43-18-14-25)32-20-28-21-37-36(38-29-9-11-30(12-10-29)44-31-8-5-16-40(2)23-31)39-34(28)41(35(32)42)22-27-15-19-45-33(27)26-6-3-4-7-26;1-21-3-8-27(29(35)15-21)28-16-23-18-37-34(39-24-4-6-25(7-5-24)44-26-10-13-41(2)14-11-26)40-32(23)42(33(28)43)19-30-31(45-20-38-30)22-9-12-36-17-22;1-22-6-3-4-8-29(22)42-30-18-24-19-36-34(37-25-11-13-26(14-12-25)39(2)27-7-5-16-35-20-27)38-32(24)40(33(30)41)21-31-28(15-17-43-31)23-9-10-23/h4-12,21-22,24-25,29,39H,13-20,23H2,1-3H3,(H,37,40,41);6,9-12,15,19-21,25,31H,1,3-5,7-8,13-14,16-18,22-23H2,2H3,(H,37,38,39);3-8,15-16,18,20,22,26,36H,9-14,17,19H2,1-2H3,(H,37,39,40);3-4,6,8,11-15,17-19,23,27,35H,5,7,9-10,16,20-21H2,1-2H3,(H,36,37,38)
InChIKeyGWFOMMSVVYSWKS-UHFFFAOYSA-N
XLogP25.64
TPSA368.39 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002492.62
LogP ≤ 525.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-[2-(Dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157121912
6-(4-Cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-3-ium-4-yl]-8-phenyl-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157389647
2-(3-Chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157397790
6-[4-(1-Acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157533335
6-[4-Methyl-2-(1-methylpiperidin-3-yl)pyrimidin-5-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpiperidin-2-yl)pyrimidin-4-yl]-2-[4-(oxan-2-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157670050
8-[[4-(Benzenesulfinyl)pyrimidin-5-yl]methyl]-6-(2-chloro-4-methylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[3-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-[[3-(2,2,2-trifluoroethylsulfinyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-pyridin-4-ylsulfonyl-4-pyridinyl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157960184
6-(2-Chloro-4-methylphenyl)-8-[(5-pyridin-4-ylsulfonyl-1,2-thiazol-4-yl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-[2-(dimethylamino)ethylsulfinyl]thiophen-2-yl]methyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[4-(2,2,2-trifluoroethylsulfonyl)-1,3-thiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(5-pyridin-4-ylsulfinyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158005078
6-(2-Chloro-4-methylphenyl)-8-[[3-(1,3-thiazol-2-ylsulfinyl)thiophen-2-yl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-methylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(3-methyl-4-pyridin-4-ylsulfinyl-1,2-dihydrotriazol-5-yl)methyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[2-(2,2,2-trifluoroethylsulfonyl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158069438
6-(4-Cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158413340
6-[3-chloro-5-(1H-pyrrol-3-yl)-2-pyridinyl]-8-cyclopentyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-thiophen-3-yl-2-pyridinyl)-8-(cyclopropylmethyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrolidin-2-yl)cyclohexyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(6-methylpiperidin-3-yl)amino]anilino]-8-(oxolan-3-yl)-6-[4-(1,3-thiazol-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 158611628
6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 158816488
6-(6-Cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159116741

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158384719) is 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2ccsc2C2=CCCC2)c1=O)C1CCOCC1.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ncn(C)c5C5CCOCC5)c4n3)cc2)CC1.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(Cc3ncsc3C3CCNC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2sccc2C2CC2)c1=O.
What is the InChIKey of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GWFOMMSVVYSWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N9O2.C36H41N5O3S.C34H36ClN7O2S.C34H36N6O2S/c1-42-17-13-29(14-18-42)39-27-9-11-28(12-10-27)40-36-37-22-26-21-32(44(3)30-7-5-4-6-8-30)35(46)45(34(26)41-36)23-31-33(43(2)24-38-31)25-15-19-47-20-16-25;1-24(25-13-17-43-18-14-25)32-20-28-21-37-36(38-29-9-11-30(12-10-29)44-31-8-5-16-40(2)23-31)39-34(28)41(35(32)42)22-27-15-19-45-33(27)26-6-3-4-7-26;1-21-3-8-27(29(35)15-21)28-16-23-18-37-34(39-24-4-6-25(7-5-24)44-26-10-13-41(2)14-11-26)40-32(23)42(33(28)43)19-30-31(45-20-38-30)22-9-12-36-17-22;1-22-6-3-4-8-29(22)42-30-18-24-19-36-34(37-25-11-13-26(14-12-25)39(2)27-7-5-16-35-20-27)38-32(24)40(33(30)41)21-31-28(15-17-43-31)23-9-10-23/h4-12,21-22,24-25,29,39H,13-20,23H2,1-3H3,(H,37,40,41);6,9-12,15,19-21,25,31H,1,3-5,7-8,13-14,16-18,22-23H2,2H3,(H,37,38,39);3-8,15-16,18,20,22,26,36H,9-14,17,19H2,1-2H3,(H,37,39,40);3-4,6,8,11-15,17-19,23,27,35H,5,7,9-10,16,20-21H2,1-2H3,(H,36,37,38).
What are the key properties of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2492.62 g/mol, XLogP of 25.64, 35 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(cyclopenten-1-yl)thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-6-(2-methylphenoxy)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-8-[[1-methyl-5-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158384719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).