About N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine
N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine (PubChem CID 159154825) has the molecular formula C114H113N23O10
and a molecular weight of 1965.31 g/mol. Its IUPAC name is N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine.
Frequently Asked Questions
What is the IUPAC name of N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine (CID 159154825) is N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(OCCN(C)C)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc[nH]c(=O)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NCCN(C)C)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4c(NCCN(C)C)cccc34)c12.
What is the InChIKey of N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine?
The InChIKey is KJTHABNEGYCZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H32N6O2.C30H30N6O3.C22H19N5O3/c1-17-28(18(2)39-36-17)24-15-26-23(16-27(24)38-6)29-30(33-19(3)34-31(29)35-26)22-11-7-10-21-20(22)9-8-12-25(21)32-13-14-37(4)5;1-17-28(18(2)39-36-17)24-15-26-23(16-27(24)38-6)29-30(33-19(3)34-31(29)35-26)22-11-12-25(32-13-14-37(4)5)21-10-8-7-9-20(21)22;1-16-27(17(2)39-35-16)22-13-24-21(14-25(22)37-6)28-29(31-18(3)32-30(28)34-24)20-15-26(38-12-11-36(4)5)33-23-10-8-7-9-19(20)23;1-10-19(11(2)30-27-10)15-8-16-14(9-17(15)29-4)20-21(13-5-6-23-18(28)7-13)24-12(3)25-22(20)26-16/h2*7-12,15-16,32H,13-14H2,1-6H3,(H,33,34,35);7-10,13-15H,11-12H2,1-6H3,(H,31,32,34);5-9H,1-4H3,(H,23,28)(H,24,25,26).
What are the key properties of N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine?
N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine has a molecular weight of 1965.31 g/mol, XLogP of 22.90, 24 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-1H-pyridin-2-one;2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 159154825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).