2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone

C173H202F7N23O10S — CID 160529317

About 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone

2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone (PubChem CID 160529317) has the molecular formula C173H202F7N23O10S and a molecular weight of 2928.72 g/mol. Its IUPAC name is 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
• PubChem CID: 160529317
• Molecular Formula: C173H202F7N23O10S
• Molecular Weight: 2928.72 g/mol
• Exact Mass: 2926.56
• IUPAC Name: 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
• SMILES: COc1ccc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCCN(Cc4c(C)cccc4C)C2)CC3)cc1F.COc1cccc(F)c1CN1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CC(C(F)(F)F)C1.COc1cccc(F)c1CN1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CCC1C.COc1cccc(F)c1CN1CCCC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)C1C.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCN(Cc4c(C)cccc4C)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCN(Cc4csc5ccccc45)C2)CC3)ccn1
• InChI: InChI=1S/C30H36FN3O2.C29H32F4N4O2.2C29H35FN4O2.C28H30N4OS.C28H34N4O/c1-20-6-4-7-21(2)25(20)18-33-12-5-8-22(17-33)14-29(35)34-13-11-24-16-32-30(26(24)19-34)23-9-10-28(36-3)27(31)15-23;1-18-10-20(6-8-34-18)28-23-17-37(9-7-21(23)13-35-28)27(38)12-19-11-22(29(31,32)33)15-36(14-19)16-24-25(30)4-3-5-26(24)39-2;1-19-14-22(9-11-31-19)29-24-17-34(13-10-23(24)16-32-29)28(35)15-21-6-5-12-33(20(21)2)18-25-26(30)7-4-8-27(25)36-3;1-19-13-22(9-11-31-19)29-24-17-33(12-10-23(24)15-32-29)28(35)14-21-8-7-20(2)34(16-21)18-25-26(30)5-4-6-27(25)36-3;1-19-12-21(6-9-29-19)28-25-17-32(11-8-22(25)14-30-28)27(33)13-20-7-10-31(15-20)16-23-18-34-26-5-3-2-4-24(23)26;1-19-5-4-6-20(2)25(19)17-31-11-8-22(16-31)14-27(33)32-12-9-24-15-30-28(26(24)18-32)23-7-10-29-21(3)13-23/h4,6-7,9-10,15,22H,5,8,11-14,16-19H2,1-3H3;3-6,8,10,19,22H,7,9,11-17H2,1-2H3;4,7-9,11,14,20-21H,5-6,10,12-13,15-18H2,1-3H3;4-6,9,11,13,20-21H,7-8,10,12,14-18H2,1-3H3;2-6,9,12,18,20H,7-8,10-11,13-17H2,1H3;4-7,10,13,22H,8-9,11-12,14-18H2,1-3H3/t22-;;;;20-;22-/m0...00/s1
• InChIKey: QVIAYFNLOBHADI-UUSSDFNISA-N
• XLogP: 28.26
• TPSA: 316.83 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2928.72
LogP ≤ 5	28.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-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-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone (CID 160529317) is 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-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-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-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-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone is COc1ccc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCCN(Cc4c(C)cccc4C)C2)CC3)cc1F.COc1cccc(F)c1CN1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CC(C(F)(F)F)C1.COc1cccc(F)c1CN1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CCC1C.COc1cccc(F)c1CN1CCCC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)C1C.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCN(Cc4c(C)cccc4C)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCN(Cc4csc5ccccc45)C2)CC3)ccn1.

What is the InChIKey of 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone?

The InChIKey is QVIAYFNLOBHADI-UUSSDFNISA-N. The full InChI is InChI=1S/C30H36FN3O2.C29H32F4N4O2.2C29H35FN4O2.C28H30N4OS.C28H34N4O/c1-20-6-4-7-21(2)25(20)18-33-12-5-8-22(17-33)14-29(35)34-13-11-24-16-32-30(26(24)19-34)23-9-10-28(36-3)27(31)15-23;1-18-10-20(6-8-34-18)28-23-17-37(9-7-21(23)13-35-28)27(38)12-19-11-22(29(31,32)33)15-36(14-19)16-24-25(30)4-3-5-26(24)39-2;1-19-14-22(9-11-31-19)29-24-17-34(13-10-23(24)16-32-29)28(35)15-21-6-5-12-33(20(21)2)18-25-26(30)7-4-8-27(25)36-3;1-19-13-22(9-11-31-19)29-24-17-33(12-10-23(24)15-32-29)28(35)14-21-8-7-20(2)34(16-21)18-25-26(30)5-4-6-27(25)36-3;1-19-12-21(6-9-29-19)28-25-17-32(11-8-22(25)14-30-28)27(33)13-20-7-10-31(15-20)16-23-18-34-26-5-3-2-4-24(23)26;1-19-5-4-6-20(2)25(19)17-31-11-8-22(16-31)14-27(33)32-12-9-24-15-30-28(26(24)18-32)23-7-10-29-21(3)13-23/h4,6-7,9-10,15,22H,5,8,11-14,16-19H2,1-3H3;3-6,8,10,19,22H,7,9,11-17H2,1-2H3;4,7-9,11,14,20-21H,5-6,10,12-13,15-18H2,1-3H3;4-6,9,11,13,20-21H,7-8,10,12,14-18H2,1-3H3;2-6,9,12,18,20H,7-8,10-11,13-17H2,1H3;4-7,10,13,22H,8-9,11-12,14-18H2,1-3H3/t22-;;;;20-;22-/m0...00/s1.

What are the key properties of 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone?

2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-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 2928.72 g/mol, XLogP of 28.26, 34 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-[3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-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]-2-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]-6-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-(trifluoromethyl)piperidin-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 160529317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).