2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate

C173H199F7N24O11S — CID 159302037

About 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate

2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate (PubChem CID 159302037) has the molecular formula C173H199F7N24O11S and a molecular weight of 2955.70 g/mol. Its IUPAC name is 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate.

Molecular Properties

• Compound Name: 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate
• PubChem CID: 159302037
• Molecular Formula: C173H199F7N24O11S
• Molecular Weight: 2955.70 g/mol
• Exact Mass: 2953.54
• IUPAC Name: 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate
• SMILES: CC(=O)C1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CN(Cc2c(F)cccc2F)C1.COC(=O)CCC(CC(=O)N1CCC2=C(C1)C(c1ccnc(C)c1)=NC2)CN(C)Cc1c(F)cccc1F.COc1cccc(F)c1CN1CC(C(C)=O)C[C@@H](CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)C1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CCCN(Cc4c(C)cccc4C)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCCN(Cc4c(F)cccc4F)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCCN(Cc4csc5ccccc45)C2)CC3)ccn1
• InChI: InChI=1S/C30H35FN4O3.C29H34F2N4O3.C29H32F2N4O2.C29H32N4OS.C29H36N4O.C27H30F2N4O/c1-19-11-22(7-9-32-19)30-25-18-35(10-8-23(25)14-33-30)29(37)13-21-12-24(20(2)36)16-34(15-21)17-26-27(31)5-4-6-28(26)38-3;1-19-13-21(9-11-32-19)29-23-18-35(12-10-22(23)15-33-29)27(36)14-20(7-8-28(37)38-3)16-34(2)17-24-25(30)5-4-6-26(24)31;1-18-10-21(6-8-32-18)29-24-17-35(9-7-22(24)13-33-29)28(37)12-20-11-23(19(2)36)15-34(14-20)16-25-26(30)4-3-5-27(25)31;1-20-13-22(8-10-30-20)29-26-18-33(12-9-23(26)15-31-29)28(34)14-21-5-4-11-32(16-21)17-24-19-35-27-7-3-2-6-25(24)27;1-20-6-4-7-21(2)26(20)18-32-12-5-8-23(17-32)15-28(34)33-13-10-25-16-31-29(27(25)19-33)24-9-11-30-22(3)14-24;1-18-12-20(7-9-30-18)27-22-17-33(11-8-21(22)14-31-27)26(34)13-19-4-3-10-32(15-19)16-23-24(28)5-2-6-25(23)29/h4-7,9,11,21,24H,8,10,12-18H2,1-3H3;4-6,9,11,13,20H,7-8,10,12,14-18H2,1-3H3;3-6,8,10,20,23H,7,9,11-17H2,1-2H3;2-3,6-8,10,13,19,21H,4-5,9,11-12,14-18H2,1H3;4,6-7,9,11,14,23H,5,8,10,12-13,15-19H2,1-3H3;2,5-7,9,12,19H,3-4,8,10-11,13-17H2,1H3/t21-,24?;;;21-;;19-/m0..0.0/s1
• InChIKey: LBLMFKQALZOODC-UMYFCXFXSA-N
• XLogP: 26.38
• TPSA: 362.47 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2955.70
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate?

The IUPAC name of 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate (CID 159302037) is 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate.

What is the SMILES notation for 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate?

The canonical SMILES for 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate is CC(=O)C1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CN(Cc2c(F)cccc2F)C1.COC(=O)CCC(CC(=O)N1CCC2=C(C1)C(c1ccnc(C)c1)=NC2)CN(C)Cc1c(F)cccc1F.COc1cccc(F)c1CN1CC(C(C)=O)C[C@@H](CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)C1.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CCCN(Cc4c(C)cccc4C)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCCN(Cc4c(F)cccc4F)C2)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CCCN(Cc4csc5ccccc45)C2)CC3)ccn1.

What is the InChIKey of 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate?

The InChIKey is LBLMFKQALZOODC-UMYFCXFXSA-N. The full InChI is InChI=1S/C30H35FN4O3.C29H34F2N4O3.C29H32F2N4O2.C29H32N4OS.C29H36N4O.C27H30F2N4O/c1-19-11-22(7-9-32-19)30-25-18-35(10-8-23(25)14-33-30)29(37)13-21-12-24(20(2)36)16-34(15-21)17-26-27(31)5-4-6-28(26)38-3;1-19-13-21(9-11-32-19)29-23-18-35(12-10-22(23)15-33-29)27(36)14-20(7-8-28(37)38-3)16-34(2)17-24-25(30)5-4-6-26(24)31;1-18-10-21(6-8-32-18)29-24-17-35(9-7-22(24)13-33-29)28(37)12-20-11-23(19(2)36)15-34(14-20)16-25-26(30)4-3-5-27(25)31;1-20-13-22(8-10-30-20)29-26-18-33(12-9-23(26)15-31-29)28(34)14-21-5-4-11-32(16-21)17-24-19-35-27-7-3-2-6-25(24)27;1-20-6-4-7-21(2)26(20)18-32-12-5-8-23(17-32)15-28(34)33-13-10-25-16-31-29(27(25)19-33)24-9-11-30-22(3)14-24;1-18-12-20(7-9-30-18)27-22-17-33(11-8-21(22)14-31-27)26(34)13-19-4-3-10-32(15-19)16-23-24(28)5-2-6-25(23)29/h4-7,9,11,21,24H,8,10,12-18H2,1-3H3;4-6,9,11,13,20H,7-8,10,12,14-18H2,1-3H3;3-6,8,10,20,23H,7,9,11-17H2,1-2H3;2-3,6-8,10,13,19,21H,4-5,9,11-12,14-18H2,1H3;4,6-7,9,11,14,23H,5,8,10,12-13,15-19H2,1-3H3;2,5-7,9,12,19H,3-4,8,10-11,13-17H2,1H3/t21-,24?;;;21-;;19-/m0..0.0/s1.

What are the key properties of 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate?

2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate has a molecular weight of 2955.70 g/mol, XLogP of 26.38, 38 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-acetyl-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-5-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]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)piperidin-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-difluorophenyl)methyl]piperidin-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]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;methyl 4-[[(2,6-difluorophenyl)methyl-methylamino]methyl]-6-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-6-oxohexanoate is sourced from PubChem (CID 159302037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).