7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C349H379N73O30S — CID 157376957

IUPAC7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CC=C(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.CCN1CC=C(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.CCNC1CCN(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.CNC1CCN(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(C4=CCN(C(C)C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(C4=CCN(C5CCC5)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(C4=CCNCC4)cnc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCC(NC(C)C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)c(C)cc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C(C)C)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6COC6)CC5)ccc4n3)cc2c(C)n1.Cc1nc2cc(-c3cc(=O)n4cc(N5C[C@H]6CNC[C@H]6C5)ccc4n3)ccc2s1
InChIInChI=1S/C25H26N6O.C25H27N3O3.C24H24N6O2.C24H24N6O.2C24H26N6O.2C24H30N4O3.C24H27N3O3.C23H24N6O.C23H28N4O3.C22H22N6O.C22H21N5OS.C21H24N4O3.C20H20N4O3/c1-16-14-31-23(17(2)26-16)12-22(28-31)21-13-25(32)30-15-19(6-7-24(30)27-21)18-8-10-29(11-9-18)20-4-3-5-20;1-30-22-8-6-18(14-23(22)31-2)21-15-25(29)28-16-19(7-9-24(28)26-21)17-10-12-27(13-11-17)20-4-3-5-20;1-15-11-30-22(16(2)25-15)9-21(27-30)20-10-24(31)29-12-18(3-4-23(29)26-20)17-5-7-28(8-6-17)19-13-32-14-19;1-15-13-30-22(16(2)25-15)11-21(27-30)20-12-24(31)29-14-18(3-6-23(29)26-20)17-7-9-28(10-8-17)19-4-5-19;1-15(2)28-9-7-18(8-10-28)19-5-6-23-26-20(12-24(31)29(23)14-19)21-11-22-17(4)25-16(3)13-30(22)27-21;1-4-9-28-10-7-18(8-11-28)19-5-6-23-26-20(13-24(31)29(23)15-19)21-12-22-17(3)25-16(2)14-30(22)27-21;1-16(2)25-18-9-11-27(12-10-18)19-6-8-23-26-20(14-24(29)28(23)15-19)17-5-7-21(30-3)22(13-17)31-4;1-5-25-18-8-10-27(11-9-18)19-12-16(2)24-26-20(14-23(29)28(24)15-19)17-6-7-21(30-3)22(13-17)31-4;1-16(2)26-11-9-17(10-12-26)19-6-8-23-25-20(14-24(28)27(23)15-19)18-5-7-21(29-3)22(13-18)30-4;1-4-27-9-7-17(8-10-27)18-5-6-22-25-19(12-23(30)28(22)14-18)20-11-21-16(3)24-15(2)13-29(21)26-20;1-15-11-18(26-9-7-17(24-2)8-10-26)14-27-22(28)13-19(25-23(15)27)16-5-6-20(29-3)21(12-16)30-4;1-14-12-28-20(15(2)23-14)10-19(25-28)18-11-22(29)27-13-17(4-5-21(27)24-18)16-6-8-26(3)9-7-16;1-13-24-19-6-14(2-4-20(19)29-13)18-7-22(28)27-12-17(3-5-21(27)25-18)26-10-15-8-23-9-16(15)11-26;1-14-10-20-23-16(15-4-5-18(27-2)19(11-15)28-3)12-21(26)25(20)13-17(14)24-8-6-22-7-9-24;1-26-17-4-3-14(9-18(17)27-2)16-10-19(25)24-12-15(11-22-20(24)23-16)13-5-7-21-8-6-13/h6-8,12-15,20H,3-5,9-11H2,1-2H3;6-10,14-16,20H,3-5,11-13H2,1-2H3;3-5,9-12,19H,6-8,13-14H2,1-2H3;3,6-7,11-14,19H,4-5,8-10H2,1-2H3;5-7,11-15H,8-10H2,1-4H3;5-7,12-15H,4,8-11H2,1-3H3;5-8,13-16,18,25H,9-12H2,1-4H3;6-7,12-15,18,25H,5,8-11H2,1-4H3;5-9,13-16H,10-12H2,1-4H3;5-7,11-14H,4,8-10H2,1-3H3;5-6,11-14,17,24H,7-10H2,1-4H3;4-6,10-13H,7-9H2,1-3H3;2-7,12,15-16,23H,8-11H2,1H3;4-5,10-13,22H,6-9H2,1-3H3;3-5,9-12,21H,6-8H2,1-2H3/t;;;;;;;;;;;;15-,16+;;
InChIKeyBKKXXQGJJKMXRO-MEXNYTBPSA-N
MW6108.42 g/mol
LogP46.92
Rot. Bonds58

About 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157376957) has the molecular formula C349H379N73O30S and a molecular weight of 6108.42 g/mol. Its IUPAC name is 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID157376957
Molecular FormulaC349H379N73O30S
Molecular Weight6108.42 g/mol
Exact Mass6104.01
IUPAC Name7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CC=C(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.CCN1CC=C(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.CCNC1CCN(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.CNC1CCN(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(C4=CCN(C(C)C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(C4=CCN(C5CCC5)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(C4=CCNCC4)cnc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCC(NC(C)C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)c(C)cc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C(C)C)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6COC6)CC5)ccc4n3)cc2c(C)n1.Cc1nc2cc(-c3cc(=O)n4cc(N5C[C@H]6CNC[C@H]6C5)ccc4n3)ccc2s1
InChIInChI=1S/C25H26N6O.C25H27N3O3.C24H24N6O2.C24H24N6O.2C24H26N6O.2C24H30N4O3.C24H27N3O3.C23H24N6O.C23H28N4O3.C22H22N6O.C22H21N5OS.C21H24N4O3.C20H20N4O3/c1-16-14-31-23(17(2)26-16)12-22(28-31)21-13-25(32)30-15-19(6-7-24(30)27-21)18-8-10-29(11-9-18)20-4-3-5-20;1-30-22-8-6-18(14-23(22)31-2)21-15-25(29)28-16-19(7-9-24(28)26-21)17-10-12-27(13-11-17)20-4-3-5-20;1-15-11-30-22(16(2)25-15)9-21(27-30)20-10-24(31)29-12-18(3-4-23(29)26-20)17-5-7-28(8-6-17)19-13-32-14-19;1-15-13-30-22(16(2)25-15)11-21(27-30)20-12-24(31)29-14-18(3-6-23(29)26-20)17-7-9-28(10-8-17)19-4-5-19;1-15(2)28-9-7-18(8-10-28)19-5-6-23-26-20(12-24(31)29(23)14-19)21-11-22-17(4)25-16(3)13-30(22)27-21;1-4-9-28-10-7-18(8-11-28)19-5-6-23-26-20(13-24(31)29(23)15-19)21-12-22-17(3)25-16(2)14-30(22)27-21;1-16(2)25-18-9-11-27(12-10-18)19-6-8-23-26-20(14-24(29)28(23)15-19)17-5-7-21(30-3)22(13-17)31-4;1-5-25-18-8-10-27(11-9-18)19-12-16(2)24-26-20(14-23(29)28(24)15-19)17-6-7-21(30-3)22(13-17)31-4;1-16(2)26-11-9-17(10-12-26)19-6-8-23-25-20(14-24(28)27(23)15-19)18-5-7-21(29-3)22(13-18)30-4;1-4-27-9-7-17(8-10-27)18-5-6-22-25-19(12-23(30)28(22)14-18)20-11-21-16(3)24-15(2)13-29(21)26-20;1-15-11-18(26-9-7-17(24-2)8-10-26)14-27-22(28)13-19(25-23(15)27)16-5-6-20(29-3)21(12-16)30-4;1-14-12-28-20(15(2)23-14)10-19(25-28)18-11-22(29)27-13-17(4-5-21(27)24-18)16-6-8-26(3)9-7-16;1-13-24-19-6-14(2-4-20(19)29-13)18-7-22(28)27-12-17(3-5-21(27)25-18)26-10-15-8-23-9-16(15)11-26;1-14-10-20-23-16(15-4-5-18(27-2)19(11-15)28-3)12-21(26)25(20)13-17(14)24-8-6-22-7-9-24;1-26-17-4-3-14(9-18(17)27-2)16-10-19(25)24-12-15(11-22-20(24)23-16)13-5-7-21-8-6-13/h6-8,12-15,20H,3-5,9-11H2,1-2H3;6-10,14-16,20H,3-5,11-13H2,1-2H3;3-5,9-12,19H,6-8,13-14H2,1-2H3;3,6-7,11-14,19H,4-5,8-10H2,1-2H3;5-7,11-15H,8-10H2,1-4H3;5-7,12-15H,4,8-11H2,1-3H3;5-8,13-16,18,25H,9-12H2,1-4H3;6-7,12-15,18,25H,5,8-11H2,1-4H3;5-9,13-16H,10-12H2,1-4H3;5-7,11-14H,4,8-10H2,1-3H3;5-6,11-14,17,24H,7-10H2,1-4H3;4-6,10-13H,7-9H2,1-3H3;2-7,12,15-16,23H,8-11H2,1H3;4-5,10-13,22H,6-9H2,1-3H3;3-5,9-12,21H,6-8H2,1-2H3/t;;;;;;;;;;;;15-,16+;;
InChIKeyBKKXXQGJJKMXRO-MEXNYTBPSA-N
XLogP46.92
TPSA1008.65 Ų
H-Bond Donors6
H-Bond Acceptors104
Rotatable Bonds58
Heavy Atoms453
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006108.42
LogP ≤ 546.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 10104

Analyze 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157376957) is 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCCN1CC=C(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.CCN1CC=C(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.CCNC1CCN(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.CNC1CCN(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(C4=CCN(C(C)C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(C4=CCN(C5CCC5)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(C4=CCNCC4)cnc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCC(NC(C)C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)c(C)cc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C(C)C)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6COC6)CC5)ccc4n3)cc2c(C)n1.Cc1nc2cc(-c3cc(=O)n4cc(N5C[C@H]6CNC[C@H]6C5)ccc4n3)ccc2s1.
What is the InChIKey of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BKKXXQGJJKMXRO-MEXNYTBPSA-N. The full InChI is InChI=1S/C25H26N6O.C25H27N3O3.C24H24N6O2.C24H24N6O.2C24H26N6O.2C24H30N4O3.C24H27N3O3.C23H24N6O.C23H28N4O3.C22H22N6O.C22H21N5OS.C21H24N4O3.C20H20N4O3/c1-16-14-31-23(17(2)26-16)12-22(28-31)21-13-25(32)30-15-19(6-7-24(30)27-21)18-8-10-29(11-9-18)20-4-3-5-20;1-30-22-8-6-18(14-23(22)31-2)21-15-25(29)28-16-19(7-9-24(28)26-21)17-10-12-27(13-11-17)20-4-3-5-20;1-15-11-30-22(16(2)25-15)9-21(27-30)20-10-24(31)29-12-18(3-4-23(29)26-20)17-5-7-28(8-6-17)19-13-32-14-19;1-15-13-30-22(16(2)25-15)11-21(27-30)20-12-24(31)29-14-18(3-6-23(29)26-20)17-7-9-28(10-8-17)19-4-5-19;1-15(2)28-9-7-18(8-10-28)19-5-6-23-26-20(12-24(31)29(23)14-19)21-11-22-17(4)25-16(3)13-30(22)27-21;1-4-9-28-10-7-18(8-11-28)19-5-6-23-26-20(13-24(31)29(23)15-19)21-12-22-17(3)25-16(2)14-30(22)27-21;1-16(2)25-18-9-11-27(12-10-18)19-6-8-23-26-20(14-24(29)28(23)15-19)17-5-7-21(30-3)22(13-17)31-4;1-5-25-18-8-10-27(11-9-18)19-12-16(2)24-26-20(14-23(29)28(24)15-19)17-6-7-21(30-3)22(13-17)31-4;1-16(2)26-11-9-17(10-12-26)19-6-8-23-25-20(14-24(28)27(23)15-19)18-5-7-21(29-3)22(13-18)30-4;1-4-27-9-7-17(8-10-27)18-5-6-22-25-19(12-23(30)28(22)14-18)20-11-21-16(3)24-15(2)13-29(21)26-20;1-15-11-18(26-9-7-17(24-2)8-10-26)14-27-22(28)13-19(25-23(15)27)16-5-6-20(29-3)21(12-16)30-4;1-14-12-28-20(15(2)23-14)10-19(25-28)18-11-22(29)27-13-17(4-5-21(27)24-18)16-6-8-26(3)9-7-16;1-13-24-19-6-14(2-4-20(19)29-13)18-7-22(28)27-12-17(3-5-21(27)25-18)26-10-15-8-23-9-16(15)11-26;1-14-10-20-23-16(15-4-5-18(27-2)19(11-15)28-3)12-21(26)25(20)13-17(14)24-8-6-22-7-9-24;1-26-17-4-3-14(9-18(17)27-2)16-10-19(25)24-12-15(11-22-20(24)23-16)13-5-7-21-8-6-13/h6-8,12-15,20H,3-5,9-11H2,1-2H3;6-10,14-16,20H,3-5,11-13H2,1-2H3;3-5,9-12,19H,6-8,13-14H2,1-2H3;3,6-7,11-14,19H,4-5,8-10H2,1-2H3;5-7,11-15H,8-10H2,1-4H3;5-7,12-15H,4,8-11H2,1-3H3;5-8,13-16,18,25H,9-12H2,1-4H3;6-7,12-15,18,25H,5,8-11H2,1-4H3;5-9,13-16H,10-12H2,1-4H3;5-7,11-14H,4,8-10H2,1-3H3;5-6,11-14,17,24H,7-10H2,1-4H3;4-6,10-13H,7-9H2,1-3H3;2-7,12,15-16,23H,8-11H2,1H3;4-5,10-13,22H,6-9H2,1-3H3;3-5,9-12,21H,6-8H2,1-2H3/t;;;;;;;;;;;;15-,16+;;.
What are the key properties of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 6108.42 g/mol, XLogP of 46.92, 58 rotatable bonds, 6 hydrogen bond donors, and 104 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(ethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-8-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(propan-2-ylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157376957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).