About 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone
2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone (PubChem CID 157190270) has the molecular formula C152H174ClN21O6S
and a molecular weight of 2458.72 g/mol. Its IUPAC name is 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone?
The IUPAC name of 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone (CID 157190270) is 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone?
The canonical SMILES for 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone is COc1ccc(CN2CCC[C@@H](CC(=O)N3CCC4=C(C3)C(c3ccnc(C)c3)=NC4)C2)c2ccccc12.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4cc5ccccc5n4C)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4ccccc4Cl)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4csc5ccccc45)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCCN(Cc4cccc5ccccc45)C2)CC3)ccn1.
What is the InChIKey of 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone?
The InChIKey is APPQMJQOIBFSCM-WDGKCPNPSA-N. The full InChI is InChI=1S/C32H36N4O2.C31H37N5O.C31H34N4O.C30H34N4OS.C28H33ClN4O/c1-22-16-24(11-13-33-22)32-29-21-36(15-12-25(29)18-34-32)31(37)17-23-6-5-14-35(19-23)20-26-9-10-30(38-2)28-8-4-3-7-27(26)28;1-21-12-23(18-35(17-21)19-27-15-24-6-4-5-7-29(24)34(27)3)14-30(37)36-11-9-26-16-33-31(28(26)20-36)25-8-10-32-22(2)13-25;1-22-16-25(11-13-32-22)31-29-21-35(15-12-26(29)18-33-31)30(36)17-23-6-5-14-34(19-23)20-27-9-4-8-24-7-2-3-10-28(24)27;1-20-11-22(16-33(15-20)17-25-19-36-28-6-4-3-5-26(25)28)13-29(35)34-10-8-24-14-32-30(27(24)18-34)23-7-9-31-21(2)12-23;1-19-11-21(16-32(15-19)17-24-5-3-4-6-26(24)29)13-27(34)33-10-8-23-14-31-28(25(23)18-33)22-7-9-30-20(2)12-22/h3-4,7-11,13,16,23H,5-6,12,14-15,17-21H2,1-2H3;4-8,10,13,15,21,23H,9,11-12,14,16-20H2,1-3H3;2-4,7-11,13,16,23H,5-6,12,14-15,17-21H2,1H3;3-7,9,12,19-20,22H,8,10-11,13-18H2,1-2H3;3-7,9,12,19,21H,8,10-11,13-18H2,1-2H3/t23-;;23-;;/m0.0../s1.
What are the key properties of 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone?
2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone has a molecular weight of 2458.72 g/mol, XLogP of 25.53, 26 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzothiophen-3-ylmethyl)-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-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[5-methyl-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanone is sourced from PubChem (CID 157190270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).