About 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one (PubChem CID 158822016) has the molecular formula C133H139N15O18S4
and a molecular weight of 2363.93 g/mol. Its IUPAC name is 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one.
Frequently Asked Questions
What is the IUPAC name of 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one?
The IUPAC name of 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one (CID 158822016) is 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one.
What is the SMILES notation for 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one?
The canonical SMILES for 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one is COc1cc2c(cc1-c1ccc(-c3ccccc3)o1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1cnc(N3CCOCC3)s1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1ncc(-c3ccccc3)s1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1ncc(C3CCCCC3)s1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1ncc(C3CCOCC3)s1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.
What is the InChIKey of 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one?
The InChIKey is IVZKHVDVVOGFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4.C27H31N3O3S.C27H25N3O3S.C26H29N3O4S.C25H28N4O4S/c1-17(2)29-15-20-12-22(27-11-10-26(34-27)19-8-6-5-7-9-19)28(33-4)13-21(20)24-14-25(32)23(18(3)31)16-30(24)29;2*1-16(2)29-14-19-10-21(27-28-13-26(34-27)18-8-6-5-7-9-18)25(33-4)11-20(19)23-12-24(32)22(17(3)31)15-30(23)29;1-15(2)28-13-18-9-20(26-27-12-25(34-26)17-5-7-33-8-6-17)24(32-4)10-19(18)22-11-23(31)21(16(3)30)14-29(22)28;1-15(2)28-13-17-9-19(24-12-26-25(34-24)27-5-7-33-8-6-27)23(32-4)10-18(17)21-11-22(31)20(16(3)30)14-29(21)28/h5-14,16-17H,15H2,1-4H3;10-13,15-16,18H,5-9,14H2,1-4H3;5-13,15-16H,14H2,1-4H3;9-12,14-15,17H,5-8,13H2,1-4H3;9-12,14-15H,5-8,13H2,1-4H3.
What are the key properties of 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one?
3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one has a molecular weight of 2363.93 g/mol, XLogP of 24.80, 25 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one is sourced from PubChem (CID 158822016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).