About 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone (PubChem CID 159155817) has the molecular formula C145H169ClF6N20O6S
and a molecular weight of 2469.59 g/mol. Its IUPAC name is 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone (CID 159155817) is 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone is CCC1(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CCCN(Cc2c(F)cccc2F)C1.CCC1(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CCCN(Cc2csc3ccccc23)C1.COc1cccc(F)c1CN1CC(C)CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)C1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(F)cccc4Cl)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(F)cccc4F)C2)CC3)ccn1.
What is the InChIKey of 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone?
The InChIKey is KJWLEMWITJURJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4OS.C29H34F2N4O.C29H35FN4O2.C28H32ClFN4O.C28H32F2N4O/c1-3-31(11-6-13-34(21-31)18-25-20-37-28-8-5-4-7-26(25)28)16-29(36)35-14-10-24-17-33-30(27(24)19-35)23-9-12-32-22(2)15-23;1-3-29(10-5-12-34(19-29)17-24-25(30)6-4-7-26(24)31)15-27(36)35-13-9-22-16-33-28(23(22)18-35)21-8-11-32-20(2)14-21;1-19-11-21(16-33(15-19)17-25-26(30)5-4-6-27(25)36-3)13-28(35)34-10-8-23-14-32-29(24(23)18-34)22-7-9-31-20(2)12-22;2*1-18-10-20(15-33(14-18)16-24-25(29)4-3-5-26(24)30)12-27(35)34-9-7-22-13-32-28(23(22)17-34)21-6-8-31-19(2)11-21/h4-5,7-9,12,15,20H,3,6,10-11,13-14,16-19,21H2,1-2H3;4,6-8,11,14H,3,5,9-10,12-13,15-19H2,1-2H3;4-7,9,12,19,21H,8,10-11,13-18H2,1-3H3;2*3-6,8,11,18,20H,7,9-10,12-17H2,1-2H3.
What are the key properties of 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone?
2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone has a molecular weight of 2469.59 g/mol, XLogP of 25.13, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzothiophen-3-ylmethyl)-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-3-ethylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159155817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).