About 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (PubChem CID 158245275) has the molecular formula C110H138Cl10F2N40O8
and a molecular weight of 2541.11 g/mol. Its IUPAC name is 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.
Frequently Asked Questions
What is the IUPAC name of 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The IUPAC name of 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (CID 158245275) is 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.
What is the SMILES notation for 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The canonical SMILES for 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is CC1=C2Nc3ncc(Cl)c(n3)NC(C)CCOC2=NC1.CC1=C2Nc3ncc(Cl)c(n3)NCCCOC2=NC1.CC1CCOC2=NCC(Cl)=C2Nc2ncc(Cl)c(n2)N1.CC1CCOc2nn(C3CN(C4COC4)CCC3(F)F)c(Cl)c2Nc2ncc(Cl)c(n2)N1.Cc1c2c(nn1C1(C)CCCCC1)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCC(N3CC4CCC3C4)CC1)OCCC(C)Nc1nc(ncc1Cl)N2.ClC1=C2Nc3ncc(Cl)c(n3)NCCCOC2=NC1.
What is the InChIKey of 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The InChIKey is GGARYAQXWYLLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN7O.C19H23Cl2F2N7O2.C19H27ClN6O.C13H16ClN5O.C12H13Cl2N5O.C12H14ClN5O.C11H11Cl2N5O/c1-14-9-10-33-23-21(28-24-26-12-20(25)22(27-14)29-24)15(2)32(30-23)18-7-5-17(6-8-18)31-13-16-3-4-19(31)11-16;1-10-2-5-32-17-14(26-18-24-6-12(20)16(25-10)27-18)15(21)30(28-17)13-7-29(11-8-31-9-11)4-3-19(13,22)23;1-12-7-10-27-17-15(23-18-21-11-14(20)16(22-12)24-18)13(2)26(25-17)19(3)8-5-4-6-9-19;1-7-5-15-12-10(7)18-13-16-6-9(14)11(19-13)17-8(2)3-4-20-12;1-6-2-3-20-11-9(7(13)4-15-11)18-12-16-5-8(14)10(17-6)19-12;1-7-5-15-11-9(7)17-12-16-6-8(13)10(18-12)14-3-2-4-19-11;12-6-4-15-10-8(6)17-11-16-5-7(13)9(18-11)14-2-1-3-19-10/h12,14,16-19H,3-11,13H2,1-2H3,(H2,26,27,28,29);6,10-11,13H,2-5,7-9H2,1H3,(H2,24,25,26,27);11-12H,4-10H2,1-3H3,(H2,21,22,23,24);6,8H,3-5H2,1-2H3,(H2,16,17,18,19);5-6H,2-4H2,1H3,(H2,16,17,18,19);6H,2-5H2,1H3,(H2,14,16,17,18);5H,1-4H2,(H2,14,16,17,18).
What are the key properties of 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene has a molecular weight of 2541.11 g/mol, XLogP of 22.53, 5 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is sourced from PubChem (CID 158245275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).