6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate

C149H177Cl2F6N33O12S — CID 160588223

IUPAC6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate
SMILESCC(=O)N1CCC(c2cc(Cl)c(-c3cc4cnc(Nc5ccc(NC6CCCN(C)C6)cc5)nc4n(CCN4CCOCC4)c3=O)c(Cl)c2)CC1.CC(=O)N1CCCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CCN(C)S(C)=O)c2=O)C1.CC(=O)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C(F)(F)F)c1.CC(=O)N1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.O
InChIInChI=1S/C40H42F3N7O2.C38H46Cl2N8O3.C38H43F3N8O3.C33H44N10O3S.H2O/c1-26(51)49-21-8-7-15-36(49)33-13-5-4-12-32(33)34-22-28-23-45-39(46-29-16-18-30(19-17-29)48(2)31-11-9-20-44-24-31)47-37(28)50(38(34)52)25-27-10-3-6-14-35(27)40(41,42)43;1-25(49)47-12-9-26(10-13-47)27-21-33(39)35(34(40)22-27)32-20-28-23-41-38(44-36(28)48(37(32)50)15-14-46-16-18-51-19-17-46)43-30-7-5-29(6-8-30)42-31-4-3-11-45(2)24-31;1-24(50)48-19-5-6-33(48)25-7-12-30(32(21-25)38(39,40)41)31-20-26-22-43-37(45-35(26)49(36(31)52)23-34(51)47-17-3-4-18-47)44-27-8-10-28(11-9-27)46(2)29-13-15-42-16-14-29;1-23(44)41-14-5-6-28(22-41)42-17-13-34-31(42)29-20-24-21-35-33(38-30(24)43(32(29)45)19-18-40(3)47(4)46)37-26-9-7-25(8-10-26)36-27-11-15-39(2)16-12-27;/h3-6,10,12-14,16-19,22-23,31,36,44H,7-9,11,15,20-21,24-25H2,1-2H3,(H,45,46,47);5-8,20-23,26,31,42H,3-4,9-19,24H2,1-2H3,(H,41,43,44);7-12,20-22,29,33,42H,3-6,13-19,23H2,1-2H3,(H,43,44,45);7-10,13,17,20-21,27-28,36H,5-6,11-12,14-16,18-19,22H2,1-4H3,(H,35,37,38);1H2
InChIKeyUWEGEQZLHUUKQU-UHFFFAOYSA-N
MW2839.23 g/mol
LogP21.81
Rot. Bonds35

About 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate

6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate (PubChem CID 160588223) has the molecular formula C149H177Cl2F6N33O12S and a molecular weight of 2839.23 g/mol. Its IUPAC name is 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate.

Molecular Properties

Compound Name6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate
PubChem CID160588223
Molecular FormulaC149H177Cl2F6N33O12S
Molecular Weight2839.23 g/mol
Exact Mass2836.33
IUPAC Name6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate
SMILESCC(=O)N1CCC(c2cc(Cl)c(-c3cc4cnc(Nc5ccc(NC6CCCN(C)C6)cc5)nc4n(CCN4CCOCC4)c3=O)c(Cl)c2)CC1.CC(=O)N1CCCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CCN(C)S(C)=O)c2=O)C1.CC(=O)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C(F)(F)F)c1.CC(=O)N1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.O
InChIInChI=1S/C40H42F3N7O2.C38H46Cl2N8O3.C38H43F3N8O3.C33H44N10O3S.H2O/c1-26(51)49-21-8-7-15-36(49)33-13-5-4-12-32(33)34-22-28-23-45-39(46-29-16-18-30(19-17-29)48(2)31-11-9-20-44-24-31)47-37(28)50(38(34)52)25-27-10-3-6-14-35(27)40(41,42)43;1-25(49)47-12-9-26(10-13-47)27-21-33(39)35(34(40)22-27)32-20-28-23-41-38(44-36(28)48(37(32)50)15-14-46-16-18-51-19-17-46)43-30-7-5-29(6-8-30)42-31-4-3-11-45(2)24-31;1-24(50)48-19-5-6-33(48)25-7-12-30(32(21-25)38(39,40)41)31-20-26-22-43-37(45-35(26)49(36(31)52)23-34(51)47-17-3-4-18-47)44-27-8-10-28(11-9-27)46(2)29-13-15-42-16-14-29;1-23(44)41-14-5-6-28(22-41)42-17-13-34-31(42)29-20-24-21-35-33(38-30(24)43(32(29)45)19-18-40(3)47(4)46)37-26-9-7-25(8-10-26)36-27-11-15-39(2)16-12-27;/h3-6,10,12-14,16-19,22-23,31,36,44H,7-9,11,15,20-21,24-25H2,1-2H3,(H,45,46,47);5-8,20-23,26,31,42H,3-4,9-19,24H2,1-2H3,(H,41,43,44);7-12,20-22,29,33,42H,3-6,13-19,23H2,1-2H3,(H,43,44,45);7-10,13,17,20-21,27-28,36H,5-6,11-12,14-16,18-19,22H2,1-4H3,(H,35,37,38);1H2
InChIKeyUWEGEQZLHUUKQU-UHFFFAOYSA-N
XLogP21.81
TPSA483.97 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002839.23
LogP ≤ 521.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate with MolForge

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Related Compounds

6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158448613
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-(2,6-dichloro-4-pyridin-2-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-8-[2-(dimethylamino)ethyl]-6-[4-phenyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158507957
6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8H-quinazolin-7-one;6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1,1-difluoroethyl)-4-(2-methyl-2H-pyrrol-4-yl)phenyl]-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylsulfanylpiperidin-4-yl)-3H-pyrrol-5-yl]-8-(oxolan-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 160139382
6-(2-chloro-4-phenylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160173739
6-[3-Chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 160442096
6-(3-Chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 160953507
6-[4-(1-Acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;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-[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
CID 161306719
6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161483600
2-Anilino-6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-anilino-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;1-methylpyrrolidine;piperidine
CID 162174579
6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;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
CID 157770731
6-[4-(1-Acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158715182
8-Cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 161196345

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate?
The IUPAC name of 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate (CID 160588223) is 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate.
What is the SMILES notation for 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate?
The canonical SMILES for 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate is CC(=O)N1CCC(c2cc(Cl)c(-c3cc4cnc(Nc5ccc(NC6CCCN(C)C6)cc5)nc4n(CCN4CCOCC4)c3=O)c(Cl)c2)CC1.CC(=O)N1CCCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CCN(C)S(C)=O)c2=O)C1.CC(=O)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C(F)(F)F)c1.CC(=O)N1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.O.
What is the InChIKey of 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate?
The InChIKey is UWEGEQZLHUUKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42F3N7O2.C38H46Cl2N8O3.C38H43F3N8O3.C33H44N10O3S.H2O/c1-26(51)49-21-8-7-15-36(49)33-13-5-4-12-32(33)34-22-28-23-45-39(46-29-16-18-30(19-17-29)48(2)31-11-9-20-44-24-31)47-37(28)50(38(34)52)25-27-10-3-6-14-35(27)40(41,42)43;1-25(49)47-12-9-26(10-13-47)27-21-33(39)35(34(40)22-27)32-20-28-23-41-38(44-36(28)48(37(32)50)15-14-46-16-18-51-19-17-46)43-30-7-5-29(6-8-30)42-31-4-3-11-45(2)24-31;1-24(50)48-19-5-6-33(48)25-7-12-30(32(21-25)38(39,40)41)31-20-26-22-43-37(45-35(26)49(36(31)52)23-34(51)47-17-3-4-18-47)44-27-8-10-28(11-9-27)46(2)29-13-15-42-16-14-29;1-23(44)41-14-5-6-28(22-41)42-17-13-34-31(42)29-20-24-21-35-33(38-30(24)43(32(29)45)19-18-40(3)47(4)46)37-26-9-7-25(8-10-26)36-27-11-15-39(2)16-12-27;/h3-6,10,12-14,16-19,22-23,31,36,44H,7-9,11,15,20-21,24-25H2,1-2H3,(H,45,46,47);5-8,20-23,26,31,42H,3-4,9-19,24H2,1-2H3,(H,41,43,44);7-12,20-22,29,33,42H,3-6,13-19,23H2,1-2H3,(H,43,44,45);7-10,13,17,20-21,27-28,36H,5-6,11-12,14-16,18-19,22H2,1-4H3,(H,35,37,38);1H2.
What are the key properties of 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate?
6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate has a molecular weight of 2839.23 g/mol, XLogP of 21.81, 35 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;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;hydrate is sourced from PubChem (CID 160588223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).