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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C131H141F3N36O9S — CID 159558572

IUPAC6-[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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCC(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(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cn1cccc1-c1ncc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)cn1
InChIInChI=1S/C36H32F3N7O2.C33H35N9O2.C32H38N10O2.C30H36N10O3S/c1-22-15-24(27-18-42-45(2)20-27)9-12-29(22)30-16-26-17-41-35(43-28-10-7-23(8-11-28)32-19-40-13-14-48-32)44-33(26)46(34(30)47)21-25-5-3-4-6-31(25)36(37,38)39;1-40-14-4-5-28(40)30-35-19-25(20-36-30)27-17-24-18-37-33(38-26-8-6-22(7-9-26)23-10-12-34-13-11-23)39-31(24)42(32(27)44)21-29(43)41-15-2-3-16-41;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/h3-12,15-18,20,32,40H,13-14,19,21H2,1-2H3,(H,41,43,44);4-9,14,17-20,23,34H,2-3,10-13,15-16,21H2,1H3,(H,37,38,39);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)
InChIKeyMGHRHXTWAINSCW-UHFFFAOYSA-N
MW2452.87 g/mol
LogP16.60
Rot. Bonds31

About 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159558572) has the molecular formula C131H141F3N36O9S and a molecular weight of 2452.87 g/mol. Its IUPAC name is 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID159558572
Molecular FormulaC131H141F3N36O9S
Molecular Weight2452.87 g/mol
Exact Mass2451.14
IUPAC Name6-[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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCC(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(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cn1cccc1-c1ncc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)cn1
InChIInChI=1S/C36H32F3N7O2.C33H35N9O2.C32H38N10O2.C30H36N10O3S/c1-22-15-24(27-18-42-45(2)20-27)9-12-29(22)30-16-26-17-41-35(43-28-10-7-23(8-11-28)32-19-40-13-14-48-32)44-33(26)46(34(30)47)21-25-5-3-4-6-31(25)36(37,38)39;1-40-14-4-5-28(40)30-35-19-25(20-36-30)27-17-24-18-37-33(38-26-8-6-22(7-9-26)23-10-12-34-13-11-23)39-31(24)42(32(27)44)21-29(43)41-15-2-3-16-41;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/h3-12,15-18,20,32,40H,13-14,19,21H2,1-2H3,(H,41,43,44);4-9,14,17-20,23,34H,2-3,10-13,15-16,21H2,1H3,(H,37,38,39);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)
InChIKeyMGHRHXTWAINSCW-UHFFFAOYSA-N
XLogP16.60
TPSA477.77 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002452.87
LogP ≤ 516.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

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
8-[1-[Dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 158199794
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
5-amino-1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one;2-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 158564736
6-(4-Cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[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;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158579270
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
4-(benzylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;1-(3-morpholin-4-yl-3-oxopropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 158669494
6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 158803126
6-[2-fluoro-4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[5-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159009946
6-[3,5-Dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate
CID 159060425
6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)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-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159703219
8-[2-(Dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
CID 159747671

Frequently Asked Questions

What is the IUPAC name of 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 159558572) is 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is 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(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cn1cccc1-c1ncc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)cn1.
What is the InChIKey of 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MGHRHXTWAINSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F3N7O2.C33H35N9O2.C32H38N10O2.C30H36N10O3S/c1-22-15-24(27-18-42-45(2)20-27)9-12-29(22)30-16-26-17-41-35(43-28-10-7-23(8-11-28)32-19-40-13-14-48-32)44-33(26)46(34(30)47)21-25-5-3-4-6-31(25)36(37,38)39;1-40-14-4-5-28(40)30-35-19-25(20-36-30)27-17-24-18-37-33(38-26-8-6-22(7-9-26)23-10-12-34-13-11-23)39-31(24)42(32(27)44)21-29(43)41-15-2-3-16-41;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/h3-12,15-18,20,32,40H,13-14,19,21H2,1-2H3,(H,41,43,44);4-9,14,17-20,23,34H,2-3,10-13,15-16,21H2,1H3,(H,37,38,39);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).
What are the key properties of 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2452.87 g/mol, XLogP of 16.60, 31 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpyrrol-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159558572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).