3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile

C122H138F6N16O12 — CID 158377154

About 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile

3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile (PubChem CID 158377154) has the molecular formula C122H138F6N16O12 and a molecular weight of 2134.53 g/mol. Its IUPAC name is 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
• PubChem CID: 158377154
• Molecular Formula: C122H138F6N16O12
• Molecular Weight: 2134.53 g/mol
• Exact Mass: 2133.06
• IUPAC Name: 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
• SMILES: C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4cc(O)cc(C#N)c4)c(C(F)(F)F)c23)CC1.COCCOc1cc(C#N)cc(C(=O)Cc2cnc3c(c(C4CCN(C(=O)C5CCCC5)CC4)cn3C)c2C)c1.C[C@@H](C(=O)N1CCC(c2cn(C)c3ncc(CC(=O)c4cc(O)cc(C#N)c4)c(C(F)(F)F)c23)CC1)C(C)(C)C.Cc1c(CC(=O)c2cc(O)cc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1)cn2C
• InChI: InChI=1S/C32H38N4O4.C30H33F3N4O3.C30H31F3N4O2.C30H36N4O3/c1-21-26(17-29(37)25-14-22(18-33)15-27(16-25)40-13-12-39-3)19-34-31-30(21)28(20-35(31)2)23-8-10-36(11-9-23)32(38)24-6-4-5-7-24;1-17(29(2,3)4)28(40)37-8-6-19(7-9-37)23-16-36(5)27-25(23)26(30(31,32)33)21(15-35-27)13-24(39)20-10-18(14-34)11-22(38)12-20;1-18(20-5-3-4-6-20)37-9-7-21(8-10-37)25-17-36(2)29-27(25)28(30(31,32)33)23(16-35-29)14-26(39)22-11-19(15-34)12-24(38)13-22;1-18-23(14-26(36)22-11-20(15-31)12-24(35)13-22)16-32-28-27(18)25(17-33(28)6)21-7-9-34(10-8-21)29(37)19(2)30(3,4)5/h14-16,19-20,23-24H,4-13,17H2,1-3H3;10-12,15-17,19,38H,6-9,13H2,1-5H3;11-13,16-17,20-21,38H,1,3-10,14H2,2H3;11-13,16-17,19,21,35H,7-10,14H2,1-6H3/t;17-;;19-/m.0.0/s1
• InChIKey: GVIMDNWXOXMCEF-PNZKIRSUSA-N
• XLogP: 22.83
• TPSA: 378.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.53
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?

The IUPAC name of 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile (CID 158377154) is 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile.

What is the SMILES notation for 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?

The canonical SMILES for 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile is C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4cc(O)cc(C#N)c4)c(C(F)(F)F)c23)CC1.COCCOc1cc(C#N)cc(C(=O)Cc2cnc3c(c(C4CCN(C(=O)C5CCCC5)CC4)cn3C)c2C)c1.C[C@@H](C(=O)N1CCC(c2cn(C)c3ncc(CC(=O)c4cc(O)cc(C#N)c4)c(C(F)(F)F)c23)CC1)C(C)(C)C.Cc1c(CC(=O)c2cc(O)cc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1)cn2C.

What is the InChIKey of 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?

The InChIKey is GVIMDNWXOXMCEF-PNZKIRSUSA-N. The full InChI is InChI=1S/C32H38N4O4.C30H33F3N4O3.C30H31F3N4O2.C30H36N4O3/c1-21-26(17-29(37)25-14-22(18-33)15-27(16-25)40-13-12-39-3)19-34-31-30(21)28(20-35(31)2)23-8-10-36(11-9-23)32(38)24-6-4-5-7-24;1-17(29(2,3)4)28(40)37-8-6-19(7-9-37)23-16-36(5)27-25(23)26(30(31,32)33)21(15-35-27)13-24(39)20-10-18(14-34)11-22(38)12-20;1-18(20-5-3-4-6-20)37-9-7-21(8-10-37)25-17-36(2)29-27(25)28(30(31,32)33)23(16-35-29)14-26(39)22-11-19(15-34)12-24(38)13-22;1-18-23(14-26(36)22-11-20(15-31)12-24(35)13-22)16-32-28-27(18)25(17-33(28)6)21-7-9-34(10-8-21)29(37)19(2)30(3,4)5/h14-16,19-20,23-24H,4-13,17H2,1-3H3;10-12,15-17,19,38H,6-9,13H2,1-5H3;11-13,16-17,20-21,38H,1,3-10,14H2,2H3;11-13,16-17,19,21,35H,7-10,14H2,1-6H3/t;17-;;19-/m.0.0/s1.

What are the key properties of 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?

3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile has a molecular weight of 2134.53 g/mol, XLogP of 22.83, 25 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-(2-methoxyethoxy)benzonitrile;3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-[2-[1,4-dimethyl-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-hydroxybenzonitrile;3-hydroxy-5-[2-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile is sourced from PubChem (CID 158377154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).