8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C159H189N37O10 — CID 159097784

IUPAC8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccnn2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2nccn2C2CCNC2)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(Cc2cncn2-c2ccncc2)c1=O.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2ccoc2C2CC2)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5cccn5C5CCOCC5)c4n3)cc2)C1
InChIInChI=1S/C33H38N8O2.C33H38N8O.C32H40N8O2.C32H39N7O2.C29H34N6O3/c1-4-23(5-2)30-18-24-19-36-33(37-25-6-8-28(9-7-25)43-29-12-16-39(3)17-13-29)38-31(24)40(32(30)42)21-27-20-35-22-41(27)26-10-14-34-15-11-26;1-22(23-9-10-23)30-18-24-19-35-33(37-25-11-13-26(14-12-25)39(2)28-8-5-16-34-20-28)38-31(24)40(32(30)42)21-29-15-17-36-41(29)27-6-3-4-7-27;1-21(2)22(3)28-16-23-17-35-32(36-24-7-9-26(10-8-24)42-27-6-5-14-38(4)19-27)37-30(23)40(31(28)41)20-29-34-13-15-39(29)25-11-12-33-18-25;1-37-14-2-4-26(20-37)34-24-8-10-25(11-9-24)35-32-33-19-23-18-29(22-6-7-22)31(40)39(30(23)36-32)21-28-5-3-15-38(28)27-12-16-41-17-13-27;1-3-37-25-16-21-17-30-29(32-23-8-6-22(7-9-23)31-24-10-13-34(2)14-11-24)33-27(21)35(28(25)36)18-20-12-15-38-26(20)19-4-5-19/h6-11,14-15,18-20,22-23,29H,4-5,12-13,16-17,21H2,1-3H3,(H,36,37,38);6,11-15,17-19,23,28,34H,1,3-5,7-10,16,20-21H2,2H3,(H,35,37,38);7-10,13,15-17,21,25,27,33H,3,5-6,11-12,14,18-20H2,1-2,4H3,(H,35,36,37);3,5,8-11,15,18-19,22,26-27,34H,2,4,6-7,12-14,16-17,20-21H2,1H3,(H,33,35,36);6-9,12,15-17,19,24,31H,3-5,10-11,13-14,18H2,1-2H3,(H,30,32,33)
InChIKeyKCWSKULZPAWAPM-UHFFFAOYSA-N
MW2778.51 g/mol
LogP25.49
Rot. Bonds45

About 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159097784) has the molecular formula C159H189N37O10 and a molecular weight of 2778.51 g/mol. Its IUPAC name is 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID159097784
Molecular FormulaC159H189N37O10
Molecular Weight2778.51 g/mol
Exact Mass2776.54
IUPAC Name8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccnn2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2nccn2C2CCNC2)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(Cc2cncn2-c2ccncc2)c1=O.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2ccoc2C2CC2)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5cccn5C5CCOCC5)c4n3)cc2)C1
InChIInChI=1S/C33H38N8O2.C33H38N8O.C32H40N8O2.C32H39N7O2.C29H34N6O3/c1-4-23(5-2)30-18-24-19-36-33(37-25-6-8-28(9-7-25)43-29-12-16-39(3)17-13-29)38-31(24)40(32(30)42)21-27-20-35-22-41(27)26-10-14-34-15-11-26;1-22(23-9-10-23)30-18-24-19-35-33(37-25-11-13-26(14-12-25)39(2)28-8-5-16-34-20-28)38-31(24)40(32(30)42)21-29-15-17-36-41(29)27-6-3-4-7-27;1-21(2)22(3)28-16-23-17-35-32(36-24-7-9-26(10-8-24)42-27-6-5-14-38(4)19-27)37-30(23)40(31(28)41)20-29-34-13-15-39(29)25-11-12-33-18-25;1-37-14-2-4-26(20-37)34-24-8-10-25(11-9-24)35-32-33-19-23-18-29(22-6-7-22)31(40)39(30(23)36-32)21-28-5-3-15-38(28)27-12-16-41-17-13-27;1-3-37-25-16-21-17-30-29(32-23-8-6-22(7-9-23)31-24-10-13-34(2)14-11-24)33-27(21)35(28(25)36)18-20-12-15-38-26(20)19-4-5-19/h6-11,14-15,18-20,22-23,29H,4-5,12-13,16-17,21H2,1-3H3,(H,36,37,38);6,11-15,17-19,23,28,34H,1,3-5,7-10,16,20-21H2,2H3,(H,35,37,38);7-10,13,15-17,21,25,27,33H,3,5-6,11-12,14,18-20H2,1-2,4H3,(H,35,36,37);3,5,8-11,15,18-19,22,26-27,34H,2,4,6-7,12-14,16-17,20-21H2,1H3,(H,33,35,36);6-9,12,15-17,19,24,31H,3-5,10-11,13-14,18H2,1-2H3,(H,30,32,33)
InChIKeyKCWSKULZPAWAPM-UHFFFAOYSA-N
XLogP25.49
TPSA484.71 Ų
H-Bond Donors9
H-Bond Acceptors47
Rotatable Bonds45
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002778.51
LogP ≤ 525.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1047

Analyze 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]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
6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158266415
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
6-[2-(Diethylamino)ethynyl]-8-[(2-ethylfuran-3-yl)methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen;dihydrate
CID 158468059
6-(2-cyclopentylethynyl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrazol-1-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylpyrazin-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-7-oxo-8-[[5-(trifluoromethyl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide
CID 160068031
6-(2-cyclopent-2-en-1-ylethynyl)-8-[(4-ethyl-3-pyridinyl)methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-8-[(4-propan-2-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(3-pyrazol-1-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 160922122
3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-2,3-dihydrochromen-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-quinolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one
CID 161080601
6-(2-cyclopentylethynyl)-8-[(4-ethyl-3-pyridinyl)methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxo-8-[(4-propan-2-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(3-pyrazol-1-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one
CID 161287059
6-[2-Chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161626208
8-[[5-(Cyclopenten-1-yl)-1-methyltriazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-3-ylanilino)-8-[(4-pyrrolidin-3-yl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(1-pyridin-4-ylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 161944969
8-[[2-(Cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[5-methyl-2-(1,3-thiazol-2-yl)thiophen-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157073804
6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(4-piperazin-1-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride
CID 157190926

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159097784) is 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ccnn2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2nccn2C2CCNC2)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(Cc2cncn2-c2ccncc2)c1=O.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2ccoc2C2CC2)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5cccn5C5CCOCC5)c4n3)cc2)C1.
What is the InChIKey of 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KCWSKULZPAWAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O2.C33H38N8O.C32H40N8O2.C32H39N7O2.C29H34N6O3/c1-4-23(5-2)30-18-24-19-36-33(37-25-6-8-28(9-7-25)43-29-12-16-39(3)17-13-29)38-31(24)40(32(30)42)21-27-20-35-22-41(27)26-10-14-34-15-11-26;1-22(23-9-10-23)30-18-24-19-35-33(37-25-11-13-26(14-12-25)39(2)28-8-5-16-34-20-28)38-31(24)40(32(30)42)21-29-15-17-36-41(29)27-6-3-4-7-27;1-21(2)22(3)28-16-23-17-35-32(36-24-7-9-26(10-8-24)42-27-6-5-14-38(4)19-27)37-30(23)40(31(28)41)20-29-34-13-15-39(29)25-11-12-33-18-25;1-37-14-2-4-26(20-37)34-24-8-10-25(11-9-24)35-32-33-19-23-18-29(22-6-7-22)31(40)39(30(23)36-32)21-28-5-3-15-38(28)27-12-16-41-17-13-27;1-3-37-25-16-21-17-30-29(32-23-8-6-22(7-9-23)31-24-10-13-34(2)14-11-24)33-27(21)35(28(25)36)18-20-12-15-38-26(20)19-4-5-19/h6-11,14-15,18-20,22-23,29H,4-5,12-13,16-17,21H2,1-3H3,(H,36,37,38);6,11-15,17-19,23,28,34H,1,3-5,7-10,16,20-21H2,2H3,(H,35,37,38);7-10,13,15-17,21,25,27,33H,3,5-6,11-12,14,18-20H2,1-2,4H3,(H,35,36,37);3,5,8-11,15,18-19,22,26-27,34H,2,4,6-7,12-14,16-17,20-21H2,1H3,(H,33,35,36);6-9,12,15-17,19,24,31H,3-5,10-11,13-14,18H2,1-2H3,(H,30,32,33).
What are the key properties of 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2778.51 g/mol, XLogP of 25.49, 45 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(cyclopenten-1-yl)pyrazol-3-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylfuran-3-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(1-pyrrolidin-3-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-yl-8-[(3-pyridin-4-ylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159097784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).