About 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159266726) has the molecular formula C184H162ClN37O14
and a molecular weight of 3151.02 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
Frequently Asked Questions
What is the IUPAC name of 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 159266726) is 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is CCc1[nH]c2ccccc2c1-c1nc(C)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(C)C)nc(-c3c(C)[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C3CCOCC3)nc(-c3ccnc4ccccc34)c12.Cc1nc(-c2c(C)[nH]c3ccccc23)c2c(n1)[nH]c1cc(-c3c(C)noc3C)ccc12.Cc1nc(-c2ccnc3ccccc23)c2c(n1)[nH]c1cc(-c3c(C)noc3C)ccc12.Cc1nc(Cl)c2c(n1)[nH]c1cc(-c3c(C)noc3C)ccc12.Cc1nc2[nH]c3cc(-c4c(C)noc4C)c(C)cc3c2c(=O)[nH]1.Cc1nc2[nH]c3cc(-c4c(C)noc4C)ccc3c2c(=O)[nH]1.
What is the InChIKey of 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is KXEWNEIZZIKLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3.C28H27N5O2.C27H25N5O2.C25H21N5O.C25H19N5O.C17H16N4O2.C16H13ClN4O.C16H14N4O2/c1-16-26(17(2)38-35-16)22-14-24-21(15-25(22)36-3)27-28(20-8-11-31-23-7-5-4-6-19(20)23)33-29(34-30(27)32-24)18-9-12-37-13-10-18;1-13(2)27-31-26(24-14(3)29-20-10-8-7-9-17(20)24)25-18-12-22(34-6)19(11-21(18)30-28(25)32-27)23-15(4)33-35-16(23)5;1-6-19-24(16-9-7-8-10-20(16)30-19)26-25-17-12-22(33-5)18(23-13(2)32-34-14(23)3)11-21(17)31-27(25)29-15(4)28-26;1-12-22(17-7-5-6-8-19(17)26-12)24-23-18-10-9-16(21-13(2)30-31-14(21)3)11-20(18)29-25(23)28-15(4)27-24;1-13-22(14(2)31-30-13)16-8-9-19-21(12-16)29-25-23(19)24(27-15(3)28-25)18-10-11-26-20-7-5-4-6-17(18)20;1-7-5-12-13(6-11(7)14-8(2)21-23-9(14)3)20-16-15(12)17(22)19-10(4)18-16;1-7-13(8(2)22-21-7)10-4-5-11-12(6-10)20-16-14(11)15(17)18-9(3)19-16;1-7-13(8(2)22-20-7)10-4-5-11-12(6-10)19-15-14(11)16(21)18-9(3)17-15/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,32,33,34);7-13,29H,1-6H3,(H,30,31,32);7-12,30H,6H2,1-5H3,(H,28,29,31);5-11,26H,1-4H3,(H,27,28,29);4-12H,1-3H3,(H,27,28,29);5-6H,1-4H3,(H2,18,19,20,22);4-6H,1-3H3,(H,18,19,20);4-6H,1-3H3,(H2,17,18,19,21).
What are the key properties of 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 3151.02 g/mol, XLogP of 42.56, 19 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-1,2-oxazole;3,5-dimethyl-4-(2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-3,9-dihydropyrimido[4,5-b]indol-4-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3,9-dihydropyrimido[4,5-b]indol-4-one;4-[4-(2-ethyl-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-2-propan-2-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-(oxan-4-yl)-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159266726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).