8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C127H139F3N34O11S2 — CID 158649954

IUPAC8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ncn(-c3cccnc3)c2C)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.CN(CCn1c(=O)c(-c2ccc(C3CCNC3)cn2)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21)S(C)(=O)=O.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5cnc(C6CCOC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5nc(-c6ccncc6)cn5C)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1
InChIInChI=1S/C34H33F3N8O2.C33H37N9O4S.C31H39N9O3S.C29H30N8O2/c1-44-12-10-27(19-44)41-25-6-8-26(9-7-25)42-33-40-15-23-14-28(24-16-38-30(39-17-24)22-11-13-47-20-22)32(46)45(31(23)43-33)18-21-4-2-3-5-29(21)34(35,36)37;1-39-16-17-46-29(21-39)23-4-6-25(7-5-23)36-33-35-19-24-18-27(31-37-28(20-40(31)2)22-8-12-34-13-9-22)32(43)42(30(24)38-33)26-10-14-41(15-11-26)47(3,44)45;1-39(44(2,42)43)15-16-40-29-23(17-27(30(40)41)28-8-3-21(19-34-28)22-9-12-33-18-22)20-35-31(38-29)37-25-6-4-24(5-7-25)36-26-10-13-32-14-11-26;1-3-36-27-20(14-25(28(36)38)26-19(2)37(18-33-26)22-6-4-12-30-16-22)15-32-29(35-27)34-21-8-10-23(11-9-21)39-24-7-5-13-31-17-24/h2-9,14-17,22,27,41H,10-13,18-20H2,1H3,(H,40,42,43);4-9,12-13,18-20,26,29H,10-11,14-17,21H2,1-3H3,(H,35,36,38);3-8,17,19-20,22,26,32-33,36H,9-16,18H2,1-2H3,(H,35,37,38);4,6,8-12,14-16,18,24,31H,3,5,7,13,17H2,1-2H3,(H,32,34,35)
InChIKeyIBKSRANEYNPVCD-UHFFFAOYSA-N
MW2438.86 g/mol
LogP16.25
Rot. Bonds32

About 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158649954) has the molecular formula C127H139F3N34O11S2 and a molecular weight of 2438.86 g/mol. Its IUPAC name is 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158649954
Molecular FormulaC127H139F3N34O11S2
Molecular Weight2438.86 g/mol
Exact Mass2437.08
IUPAC Name8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ncn(-c3cccnc3)c2C)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.CN(CCn1c(=O)c(-c2ccc(C3CCNC3)cn2)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21)S(C)(=O)=O.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5cnc(C6CCOC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5nc(-c6ccncc6)cn5C)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1
InChIInChI=1S/C34H33F3N8O2.C33H37N9O4S.C31H39N9O3S.C29H30N8O2/c1-44-12-10-27(19-44)41-25-6-8-26(9-7-25)42-33-40-15-23-14-28(24-16-38-30(39-17-24)22-11-13-47-20-22)32(46)45(31(23)43-33)18-21-4-2-3-5-29(21)34(35,36)37;1-39-16-17-46-29(21-39)23-4-6-25(7-5-23)36-33-35-19-24-18-27(31-37-28(20-40(31)2)22-8-12-34-13-9-22)32(43)42(30(24)38-33)26-10-14-41(15-11-26)47(3,44)45;1-39(44(2,42)43)15-16-40-29-23(17-27(30(40)41)28-8-3-21(19-34-28)22-9-12-33-18-22)20-35-31(38-29)37-25-6-4-24(5-7-25)36-26-10-13-32-14-11-26;1-3-36-27-20(14-25(28(36)38)26-19(2)37(18-33-26)22-6-4-12-30-16-22)15-32-29(35-27)34-21-8-10-23(11-9-21)39-24-7-5-13-31-17-24/h2-9,14-17,22,27,41H,10-13,18-20H2,1H3,(H,40,42,43);4-9,12-13,18-20,26,29H,10-11,14-17,21H2,1-3H3,(H,35,36,38);3-8,17,19-20,22,26,32-33,36H,9-16,18H2,1-2H3,(H,35,37,38);4,6,8-12,14-16,18,24,31H,3,5,7,13,17H2,1-2H3,(H,32,34,35)
InChIKeyIBKSRANEYNPVCD-UHFFFAOYSA-N
XLogP16.25
TPSA508.41 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002438.86
LogP ≤ 516.25
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Analyze 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]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
8-[[1-(2,2-Difluoropropylsulfonyl)pyrrol-2-yl]methyl]-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(2-methylsulfonylfuran-3-yl)methyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157507022
8-[[3-(Benzenesulfinyl)furan-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[3-(2,2,2-trifluoroethylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(2-pyridin-4-ylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157507488
2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfinamide;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate
CID 157559027
6-(1-Cyclopropylsulfonyl-5-methylimidazol-4-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[5-[2-(dimethylamino)ethyl-methylidene-oxo-lambda6-sulfanyl]-2-methylphenyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-propan-2-ylsulfinylthiophen-2-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157565319
6-[3-(Benzenesulfonyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(ethyl-methylidene-oxo-lambda6-sulfanyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-[methylidene-oxo-(1,3-thiazol-5-yl)-lambda6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-phenyl-6-(2-pyridin-4-ylsulfonylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157641930
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
6-(1-Cyclopropylsulfonyl-5-methylimidazol-4-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(methyl-methylidene-oxo-lambda6-sulfanyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-[methylidene-(1-methylpiperidin-4-yl)-oxo-lambda6-sulfanyl]-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157744113
6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
CID 157758793
3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;methane;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
CID 157851410
8-[[2-[2-(dimethylamino)ethyl]furan-3-yl]methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-2-(4-piperidin-3-ylanilino)-8-[[5-(2,2,2-trifluoroethyl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen;6-[2-(oxan-2-yl)ethynyl]-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157919297

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 158649954) is 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ncn(-c3cccnc3)c2C)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.CN(CCn1c(=O)c(-c2ccc(C3CCNC3)cn2)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21)S(C)(=O)=O.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5cnc(C6CCOC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5nc(-c6ccncc6)cn5C)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.
What is the InChIKey of 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IBKSRANEYNPVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N8O2.C33H37N9O4S.C31H39N9O3S.C29H30N8O2/c1-44-12-10-27(19-44)41-25-6-8-26(9-7-25)42-33-40-15-23-14-28(24-16-38-30(39-17-24)22-11-13-47-20-22)32(46)45(31(23)43-33)18-21-4-2-3-5-29(21)34(35,36)37;1-39-16-17-46-29(21-39)23-4-6-25(7-5-23)36-33-35-19-24-18-27(31-37-28(20-40(31)2)22-8-12-34-13-9-22)32(43)42(30(24)38-33)26-10-14-41(15-11-26)47(3,44)45;1-39(44(2,42)43)15-16-40-29-23(17-27(30(40)41)28-8-3-21(19-34-28)22-9-12-33-18-22)20-35-31(38-29)37-25-6-4-24(5-7-25)36-26-10-13-32-14-11-26;1-3-36-27-20(14-25(28(36)38)26-19(2)37(18-33-26)22-6-4-12-30-16-22)15-32-29(35-27)34-21-8-10-23(11-9-21)39-24-7-5-13-31-17-24/h2-9,14-17,22,27,41H,10-13,18-20H2,1H3,(H,40,42,43);4-9,12-13,18-20,26,29H,10-11,14-17,21H2,1-3H3,(H,35,36,38);3-8,17,19-20,22,26,32-33,36H,9-16,18H2,1-2H3,(H,35,37,38);4,6,8-12,14-16,18,24,31H,3,5,7,13,17H2,1-2H3,(H,32,34,35).
What are the key properties of 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2438.86 g/mol, XLogP of 16.25, 32 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-methyl-4-pyridin-4-ylimidazol-2-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[7-oxo-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158649954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).