8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C158H173F3N48O11S2 — CID 158312530

IUPAC8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cnc(-c3nnn(C)n3)cc2C)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nc(-c6cncn6C)cn5C)c(=O)n(CCN5CCOCC5)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)ncn1-c1nccn1C.Cc1cc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.Cc1cc(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C36H33F3N8O.C33H38N10O3S.C32H38N10O2.C30H36N10O3S.C27H28N10O2/c1-23-17-24(27-20-42-45(2)21-27)7-12-30(23)31-18-26-19-41-35(43-28-8-10-29(11-9-28)46-15-13-40-14-16-46)44-33(26)47(34(31)48)22-25-5-3-4-6-32(25)36(37,38)39;1-21-16-29(30-9-13-37-41(30)2)35-20-28(21)27-17-22-18-36-33(39-24-6-4-23(5-7-24)38-25-8-12-34-19-25)40-31(22)43(32(27)44)26-10-14-42(15-11-26)47(3,45)46;1-38-9-8-23(19-38)22-4-6-25(7-5-22)35-32-34-17-24-16-26(30-36-27(20-39(30)2)28-18-33-21-40(28)3)31(43)42(29(24)37-32)11-10-41-12-14-44-15-13-41;1-20-26(34-19-40(20)30-32-12-13-37(30)2)25-16-23-18-33-29(35-24-9-7-21(8-10-24)22-6-5-11-31-17-22)36-27(23)39(28(25)41)15-14-38(3)44(4,42)43;1-4-37-25-17(12-21(26(37)38)22-15-29-23(11-16(22)2)24-33-35-36(3)34-24)13-30-27(32-25)31-18-5-7-19(8-6-18)39-20-9-10-28-14-20/h3-12,17-21,40H,13-16,22H2,1-2H3,(H,41,43,44);4-7,9,13,16-18,20,25-26,34,38H,8,10-12,14-15,19H2,1-3H3,(H,36,39,40);4-7,16-18,20-21,23H,8-15,19H2,1-3H3,(H,34,35,37);7-10,12-13,16,18-19,22,31H,5-6,11,14-15,17H2,1-4H3,(H,33,35,36);5-8,11-13,15,20,28H,4,9-10,14H2,1-3H3,(H,30,31,32)
InChIKeyGNVVDDVZNAUXBU-UHFFFAOYSA-N
MW3041.57 g/mol
LogP18.80
Rot. Bonds39

About 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158312530) has the molecular formula C158H173F3N48O11S2 and a molecular weight of 3041.57 g/mol. Its IUPAC name is 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158312530
Molecular FormulaC158H173F3N48O11S2
Molecular Weight3041.57 g/mol
Exact Mass3039.38
IUPAC Name8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cnc(-c3nnn(C)n3)cc2C)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nc(-c6cncn6C)cn5C)c(=O)n(CCN5CCOCC5)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)ncn1-c1nccn1C.Cc1cc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.Cc1cc(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C36H33F3N8O.C33H38N10O3S.C32H38N10O2.C30H36N10O3S.C27H28N10O2/c1-23-17-24(27-20-42-45(2)21-27)7-12-30(23)31-18-26-19-41-35(43-28-8-10-29(11-9-28)46-15-13-40-14-16-46)44-33(26)47(34(31)48)22-25-5-3-4-6-32(25)36(37,38)39;1-21-16-29(30-9-13-37-41(30)2)35-20-28(21)27-17-22-18-36-33(39-24-6-4-23(5-7-24)38-25-8-12-34-19-25)40-31(22)43(32(27)44)26-10-14-42(15-11-26)47(3,45)46;1-38-9-8-23(19-38)22-4-6-25(7-5-22)35-32-34-17-24-16-26(30-36-27(20-39(30)2)28-18-33-21-40(28)3)31(43)42(29(24)37-32)11-10-41-12-14-44-15-13-41;1-20-26(34-19-40(20)30-32-12-13-37(30)2)25-16-23-18-33-29(35-24-9-7-21(8-10-24)22-6-5-11-31-17-22)36-27(23)39(28(25)41)15-14-38(3)44(4,42)43;1-4-37-25-17(12-21(26(37)38)22-15-29-23(11-16(22)2)24-33-35-36(3)34-24)13-30-27(32-25)31-18-5-7-19(8-6-18)39-20-9-10-28-14-20/h3-12,17-21,40H,13-16,22H2,1-2H3,(H,41,43,44);4-7,9,13,16-18,20,25-26,34,38H,8,10-12,14-15,19H2,1-3H3,(H,36,39,40);4-7,16-18,20-21,23H,8-15,19H2,1-3H3,(H,34,35,37);7-10,12-13,16,18-19,22,31H,5-6,11,14-15,17H2,1-4H3,(H,33,35,36);5-8,11-13,15,20,28H,4,9-10,14H2,1-3H3,(H,30,31,32)
InChIKeyGNVVDDVZNAUXBU-UHFFFAOYSA-N
XLogP18.80
TPSA638.44 Ų
H-Bond Donors10
H-Bond Acceptors57
Rotatable Bonds39
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003041.57
LogP ≤ 518.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)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-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
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
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
6-(2-Chloro-4-pyridin-3-ylphenyl)-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfanylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2-(3-methylimidazol-4-yl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 157765477
6-(4-Cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157831619
6-[2-(diethylamino)ethynyl]-8-[(1-methyl-4-methylsulfanylpyrazol-3-yl)methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[3-(2,2,2-trifluoroethyl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-2-yl)ethynyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157949584
8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyridin-2-ylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(1-methylsulfinylpiperidin-4-yl)-2-(4-piperidin-3-yloxyanilino)-6-(5-pyridin-4-yl-1H-imidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrate
CID 158024115
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;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]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;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158049169

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158312530) is 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cnc(-c3nnn(C)n3)cc2C)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nc(-c6cncn6C)cn5C)c(=O)n(CCN5CCOCC5)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)ncn1-c1nccn1C.Cc1cc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.Cc1cc(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GNVVDDVZNAUXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F3N8O.C33H38N10O3S.C32H38N10O2.C30H36N10O3S.C27H28N10O2/c1-23-17-24(27-20-42-45(2)21-27)7-12-30(23)31-18-26-19-41-35(43-28-8-10-29(11-9-28)46-15-13-40-14-16-46)44-33(26)47(34(31)48)22-25-5-3-4-6-32(25)36(37,38)39;1-21-16-29(30-9-13-37-41(30)2)35-20-28(21)27-17-22-18-36-33(39-24-6-4-23(5-7-24)38-25-8-12-34-19-25)40-31(22)43(32(27)44)26-10-14-42(15-11-26)47(3,45)46;1-38-9-8-23(19-38)22-4-6-25(7-5-22)35-32-34-17-24-16-26(30-36-27(20-39(30)2)28-18-33-21-40(28)3)31(43)42(29(24)37-32)11-10-41-12-14-44-15-13-41;1-20-26(34-19-40(20)30-32-12-13-37(30)2)25-16-23-18-33-29(35-24-9-7-21(8-10-24)22-6-5-11-31-17-22)36-27(23)39(28(25)41)15-14-38(3)44(4,42)43;1-4-37-25-17(12-21(26(37)38)22-15-29-23(11-16(22)2)24-33-35-36(3)34-24)13-30-27(32-25)31-18-5-7-19(8-6-18)39-20-9-10-28-14-20/h3-12,17-21,40H,13-16,22H2,1-2H3,(H,41,43,44);4-7,9,13,16-18,20,25-26,34,38H,8,10-12,14-15,19H2,1-3H3,(H,36,39,40);4-7,16-18,20-21,23H,8-15,19H2,1-3H3,(H,34,35,37);7-10,12-13,16,18-19,22,31H,5-6,11,14-15,17H2,1-4H3,(H,33,35,36);5-8,11-13,15,20,28H,4,9-10,14H2,1-3H3,(H,30,31,32).
What are the key properties of 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3041.57 g/mol, XLogP of 18.80, 39 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158312530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).