6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one

C229H226Cl10N58O25 — CID 158620615

IUPAC6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(-c3ccc(-c4noc(C)n4)cc3Cl)c(=O)n(CC)c2n1.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCCO)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC(CCO)CCO)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NCCO)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CCCC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CCN(C)C3=O)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCCO3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCOCC3)nc21
InChIInChI=1S/C26H28ClN5O3.C24H25ClN6O3.C23H22ClN7O3.2C23H23ClN6O3.C23H23ClN6O2.2C23H22ClN5O2.C21H19ClN6O2.C20H19ClN6O2/c1-3-32-24-18(15-29-26(31-24)30-19(8-11-33)9-12-34)13-21(25(32)35)20-7-6-17(14-22(20)27)23-16(2)5-4-10-28-23;1-3-31-22-17(13-27-24(29-22)26-12-15-6-8-33-9-7-15)10-19(23(31)32)18-5-4-16(11-20(18)25)21-28-14(2)34-30-21;1-4-31-20-14(11-25-23(28-20)27-18-7-8-30(3)22(18)33)9-16(21(31)32)15-6-5-13(10-17(15)24)19-26-12(2)34-29-19;1-3-30-21-16(11-26-23(28-21)25-10-14-6-7-32-12-14)8-18(22(30)31)17-5-4-15(9-19(17)24)20-27-13(2)33-29-20;1-3-30-21-15(11-25-23(28-21)26-12-16-5-4-8-32-16)9-18(22(30)31)17-7-6-14(10-19(17)24)20-27-13(2)33-29-20;1-3-30-21-15(12-25-23(28-21)27-16-6-4-5-7-16)10-18(22(30)31)17-9-8-14(11-19(17)24)20-26-13(2)32-29-20;1-3-29-21-16(13-27-23(28-21)26-9-10-30)11-18(22(29)31)17-7-6-15(12-19(17)24)20-14(2)5-4-8-25-20;1-3-29-21-16(13-26-23(28-21)25-9-10-30)11-18(22(29)31)17-8-7-15(12-19(17)24)20-6-4-5-14(2)27-20;1-3-28-19-13(10-23-21(26-19)25-14-5-6-14)8-16(20(28)29)15-7-4-12(9-17(15)22)18-24-11(2)30-27-18;1-4-22-20-23-10-13-8-15(19(28)27(5-2)18(13)25-20)14-7-6-12(9-16(14)21)17-24-11(3)29-26-17/h4-7,10,13-15,19,33-34H,3,8-9,11-12H2,1-2H3,(H,29,30,31);4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,26,27,29);5-6,9-11,18H,4,7-8H2,1-3H3,(H,25,27,28);4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3,(H,25,26,28);6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,25,26,28);8-12,16H,3-7H2,1-2H3,(H,25,27,28);4-8,11-13,30H,3,9-10H2,1-2H3,(H,26,27,28);4-8,11-13,30H,3,9-10H2,1-2H3,(H,25,26,28);4,7-10,14H,3,5-6H2,1-2H3,(H,23,25,26);6-10H,4-5H2,1-3H3,(H,22,23,25)
InChIKeyHXYGCOZNRYDGDZ-UHFFFAOYSA-N
MW4545.24 g/mol
LogP40.17
Rot. Bonds59

About 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158620615) has the molecular formula C229H226Cl10N58O25 and a molecular weight of 4545.24 g/mol. Its IUPAC name is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID158620615
Molecular FormulaC229H226Cl10N58O25
Molecular Weight4545.24 g/mol
Exact Mass4537.51
IUPAC Name6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(-c3ccc(-c4noc(C)n4)cc3Cl)c(=O)n(CC)c2n1.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCCO)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC(CCO)CCO)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NCCO)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CCCC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CCN(C)C3=O)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCCO3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCOCC3)nc21
InChIInChI=1S/C26H28ClN5O3.C24H25ClN6O3.C23H22ClN7O3.2C23H23ClN6O3.C23H23ClN6O2.2C23H22ClN5O2.C21H19ClN6O2.C20H19ClN6O2/c1-3-32-24-18(15-29-26(31-24)30-19(8-11-33)9-12-34)13-21(25(32)35)20-7-6-17(14-22(20)27)23-16(2)5-4-10-28-23;1-3-31-22-17(13-27-24(29-22)26-12-15-6-8-33-9-7-15)10-19(23(31)32)18-5-4-16(11-20(18)25)21-28-14(2)34-30-21;1-4-31-20-14(11-25-23(28-20)27-18-7-8-30(3)22(18)33)9-16(21(31)32)15-6-5-13(10-17(15)24)19-26-12(2)34-29-19;1-3-30-21-16(11-26-23(28-21)25-10-14-6-7-32-12-14)8-18(22(30)31)17-5-4-15(9-19(17)24)20-27-13(2)33-29-20;1-3-30-21-15(11-25-23(28-21)26-12-16-5-4-8-32-16)9-18(22(30)31)17-7-6-14(10-19(17)24)20-27-13(2)33-29-20;1-3-30-21-15(12-25-23(28-21)27-16-6-4-5-7-16)10-18(22(30)31)17-9-8-14(11-19(17)24)20-26-13(2)32-29-20;1-3-29-21-16(13-27-23(28-21)26-9-10-30)11-18(22(29)31)17-7-6-15(12-19(17)24)20-14(2)5-4-8-25-20;1-3-29-21-16(13-26-23(28-21)25-9-10-30)11-18(22(29)31)17-8-7-15(12-19(17)24)20-6-4-5-14(2)27-20;1-3-28-19-13(10-23-21(26-19)25-14-5-6-14)8-16(20(28)29)15-7-4-12(9-17(15)22)18-24-11(2)30-27-18;1-4-22-20-23-10-13-8-15(19(28)27(5-2)18(13)25-20)14-7-6-12(9-16(14)21)17-24-11(3)29-26-17/h4-7,10,13-15,19,33-34H,3,8-9,11-12H2,1-2H3,(H,29,30,31);4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,26,27,29);5-6,9-11,18H,4,7-8H2,1-3H3,(H,25,27,28);4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3,(H,25,26,28);6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,25,26,28);8-12,16H,3-7H2,1-2H3,(H,25,27,28);4-8,11-13,30H,3,9-10H2,1-2H3,(H,26,27,28);4-8,11-13,30H,3,9-10H2,1-2H3,(H,25,26,28);4,7-10,14H,3,5-6H2,1-2H3,(H,23,25,26);6-10H,4-5H2,1-3H3,(H,22,23,25)
InChIKeyHXYGCOZNRYDGDZ-UHFFFAOYSA-N
XLogP40.17
TPSA1038.13 Ų
H-Bond Donors14
H-Bond Acceptors82
Rotatable Bonds59
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004545.24
LogP ≤ 540.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1082

Analyze 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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What is the IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 158620615) is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one is CCNc1ncc2cc(-c3ccc(-c4noc(C)n4)cc3Cl)c(=O)n(CC)c2n1.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCCO)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC(CCO)CCO)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NCCO)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CCCC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CCN(C)C3=O)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCCO3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC3CCOCC3)nc21.
What is the InChIKey of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HXYGCOZNRYDGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3.C24H25ClN6O3.C23H22ClN7O3.2C23H23ClN6O3.C23H23ClN6O2.2C23H22ClN5O2.C21H19ClN6O2.C20H19ClN6O2/c1-3-32-24-18(15-29-26(31-24)30-19(8-11-33)9-12-34)13-21(25(32)35)20-7-6-17(14-22(20)27)23-16(2)5-4-10-28-23;1-3-31-22-17(13-27-24(29-22)26-12-15-6-8-33-9-7-15)10-19(23(31)32)18-5-4-16(11-20(18)25)21-28-14(2)34-30-21;1-4-31-20-14(11-25-23(28-20)27-18-7-8-30(3)22(18)33)9-16(21(31)32)15-6-5-13(10-17(15)24)19-26-12(2)34-29-19;1-3-30-21-16(11-26-23(28-21)25-10-14-6-7-32-12-14)8-18(22(30)31)17-5-4-15(9-19(17)24)20-27-13(2)33-29-20;1-3-30-21-15(11-25-23(28-21)26-12-16-5-4-8-32-16)9-18(22(30)31)17-7-6-14(10-19(17)24)20-27-13(2)33-29-20;1-3-30-21-15(12-25-23(28-21)27-16-6-4-5-7-16)10-18(22(30)31)17-9-8-14(11-19(17)24)20-26-13(2)32-29-20;1-3-29-21-16(13-27-23(28-21)26-9-10-30)11-18(22(29)31)17-7-6-15(12-19(17)24)20-14(2)5-4-8-25-20;1-3-29-21-16(13-26-23(28-21)25-9-10-30)11-18(22(29)31)17-8-7-15(12-19(17)24)20-6-4-5-14(2)27-20;1-3-28-19-13(10-23-21(26-19)25-14-5-6-14)8-16(20(28)29)15-7-4-12(9-17(15)22)18-24-11(2)30-27-18;1-4-22-20-23-10-13-8-15(19(28)27(5-2)18(13)25-20)14-7-6-12(9-16(14)21)17-24-11(3)29-26-17/h4-7,10,13-15,19,33-34H,3,8-9,11-12H2,1-2H3,(H,29,30,31);4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,26,27,29);5-6,9-11,18H,4,7-8H2,1-3H3,(H,25,27,28);4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3,(H,25,26,28);6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,25,26,28);8-12,16H,3-7H2,1-2H3,(H,25,27,28);4-8,11-13,30H,3,9-10H2,1-2H3,(H,26,27,28);4-8,11-13,30H,3,9-10H2,1-2H3,(H,25,26,28);4,7-10,14H,3,5-6H2,1-2H3,(H,23,25,26);6-10H,4-5H2,1-3H3,(H,22,23,25).
What are the key properties of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 4545.24 g/mol, XLogP of 40.17, 59 rotatable bonds, 14 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopentylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(cyclopropylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxan-4-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(oxolan-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-(1,5-dihydroxypentan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158620615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).