About 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 167596099) has the molecular formula C117H145ClF8N50O13
and a molecular weight of 2650.24 g/mol. Its IUPAC name is 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
Frequently Asked Questions
What is the IUPAC name of 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 167596099) is 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is CCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(C(F)(F)F)c1.CCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F.COCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(Cl)c1.COCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(F)c1.[2H]C([2H])([2H])OCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(F)c1.
What is the InChIKey of 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is JBXGWBNARALNFG-WYWTUCJESA-N. The full InChI is InChI=1S/2C24H29F3N10O2.C23H29ClN10O3.2C23H29FN10O3/c1-3-11-38-16-13-17(24(25,26)27)21(30-15-16)36-9-7-35(8-10-36)6-5-34(2)18-14-19-31-20(22-29-4-12-39-22)33-37(19)23(28)32-18;1-3-11-38-21-17(24(25,26)27)13-16(15-30-21)36-9-7-35(8-10-36)6-5-34(2)18-14-19-31-20(22-29-4-12-39-22)33-37(19)23(28)32-18;3*1-31(18-14-19-28-20(22-26-3-10-37-22)30-34(19)23(25)29-18)4-5-32-6-8-33(9-7-32)21-17(24)13-16(15-27-21)36-12-11-35-2/h2*4,12-15H,3,5-11H2,1-2H3,(H2,28,32);3*3,10,13-15H,4-9,11-12H2,1-2H3,(H2,25,29)/i;;;2D3;.
What are the key properties of 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 2650.24 g/mol, XLogP of 9.70, 49 rotatable bonds, 5 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[5-propoxy-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 167596099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).