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-dimethylphenyl)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-(trifluoromethyl)phenyl]methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone

C147H172ClF7N20O5S — CID 158925661

IUPAC2-[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-dimethylphenyl)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-(trifluoromethyl)phenyl]methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
SMILESCCC1(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.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(C)cccc4C)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(F)cccc4C(F)(F)F)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(F)cccc4Cl)C2)CC3)ccn1
InChIInChI=1S/C31H36N4OS.C30H38N4O.C29H32F4N4O.C29H34F2N4O.C28H32ClFN4O/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;1-20-12-24(17-33(16-20)18-27-21(2)6-5-7-22(27)3)14-29(35)34-11-9-26-15-32-30(28(26)19-34)25-8-10-31-23(4)13-25;1-18-10-20(15-36(14-18)16-24-25(29(31,32)33)4-3-5-26(24)30)12-27(38)37-9-7-22-13-35-28(23(22)17-37)21-6-8-34-19(2)11-21;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;1-18-10-20(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;5-8,10,13,20,24H,9,11-12,14-19H2,1-4H3;3-6,8,11,18,20H,7,9-10,12-17H2,1-2H3;4,6-8,11,14H,3,5,9-10,12-13,15-19H2,1-2H3;3-6,8,11,18,20H,7,9-10,12-17H2,1-2H3
InChIKeyJIKGQHLCPLGLAG-UHFFFAOYSA-N
MW2499.63 g/mol
LogP26.48
Rot. Bonds27

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-dimethylphenyl)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-(trifluoromethyl)phenyl]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-dimethylphenyl)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-(trifluoromethyl)phenyl]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 158925661) has the molecular formula C147H172ClF7N20O5S and a molecular weight of 2499.63 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-dimethylphenyl)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-(trifluoromethyl)phenyl]methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[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-dimethylphenyl)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-(trifluoromethyl)phenyl]methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
PubChem CID158925661
Molecular FormulaC147H172ClF7N20O5S
Molecular Weight2499.63 g/mol
Exact Mass2497.31
IUPAC Name2-[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-dimethylphenyl)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-(trifluoromethyl)phenyl]methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
SMILESCCC1(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.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(C)cccc4C)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(F)cccc4C(F)(F)F)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(F)cccc4Cl)C2)CC3)ccn1
InChIInChI=1S/C31H36N4OS.C30H38N4O.C29H32F4N4O.C29H34F2N4O.C28H32ClFN4O/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;1-20-12-24(17-33(16-20)18-27-21(2)6-5-7-22(27)3)14-29(35)34-11-9-26-15-32-30(28(26)19-34)25-8-10-31-23(4)13-25;1-18-10-20(15-36(14-18)16-24-25(29(31,32)33)4-3-5-26(24)30)12-27(38)37-9-7-22-13-35-28(23(22)17-37)21-6-8-34-19(2)11-21;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;1-18-10-20(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;5-8,10,13,20,24H,9,11-12,14-19H2,1-4H3;3-6,8,11,18,20H,7,9-10,12-17H2,1-2H3;4,6-8,11,14H,3,5,9-10,12-13,15-19H2,1-2H3;3-6,8,11,18,20H,7,9-10,12-17H2,1-2H3
InChIKeyJIKGQHLCPLGLAG-UHFFFAOYSA-N
XLogP26.48
TPSA244.00 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002499.63
LogP ≤ 526.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 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-dimethylphenyl)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-(trifluoromethyl)phenyl]methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone with MolForge

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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-dimethylphenyl)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-(trifluoromethyl)phenyl]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-dimethylphenyl)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-(trifluoromethyl)phenyl]methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone (CID 158925661) 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-dimethylphenyl)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-(trifluoromethyl)phenyl]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-dimethylphenyl)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-(trifluoromethyl)phenyl]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-dimethylphenyl)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-(trifluoromethyl)phenyl]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.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(C)cccc4C)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(F)cccc4C(F)(F)F)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CC(C)CN(Cc4c(F)cccc4Cl)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-dimethylphenyl)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-(trifluoromethyl)phenyl]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 JIKGQHLCPLGLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4OS.C30H38N4O.C29H32F4N4O.C29H34F2N4O.C28H32ClFN4O/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;1-20-12-24(17-33(16-20)18-27-21(2)6-5-7-22(27)3)14-29(35)34-11-9-26-15-32-30(28(26)19-34)25-8-10-31-23(4)13-25;1-18-10-20(15-36(14-18)16-24-25(29(31,32)33)4-3-5-26(24)30)12-27(38)37-9-7-22-13-35-28(23(22)17-37)21-6-8-34-19(2)11-21;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;1-18-10-20(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;5-8,10,13,20,24H,9,11-12,14-19H2,1-4H3;3-6,8,11,18,20H,7,9-10,12-17H2,1-2H3;4,6-8,11,14H,3,5,9-10,12-13,15-19H2,1-2H3;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-dimethylphenyl)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-(trifluoromethyl)phenyl]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-dimethylphenyl)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-(trifluoromethyl)phenyl]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 2499.63 g/mol, XLogP of 26.48, 27 rotatable bonds, 0 hydrogen bond donors, and 21 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-dimethylphenyl)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-(trifluoromethyl)phenyl]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 158925661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).