3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile

C118H120F12N16O6 — CID 158170066

About 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile

3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile (PubChem CID 158170066) has the molecular formula C118H120F12N16O6 and a molecular weight of 2086.34 g/mol. Its IUPAC name is 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
• PubChem CID: 158170066
• Molecular Formula: C118H120F12N16O6
• Molecular Weight: 2086.34 g/mol
• Exact Mass: 2084.94
• IUPAC Name: 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
• SMILES: C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1.C=C([C@@H]1CCC[C@H]1C)N1CCC(c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1.CC(C(=O)N1CCC(c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1)C1CC1.Cn1cc(C2CCN(C(=O)CC3CC3)CC2)c2c(C(F)(F)F)c(CC(=O)c3cccc(C#N)c3)cnc21
• InChI: InChI=1S/C31H33F3N4O.C30H31F3N4O.C29H29F3N4O2.C28H27F3N4O2/c1-19-6-4-9-25(19)20(2)38-12-10-22(11-13-38)26-18-37(3)30-28(26)29(31(32,33)34)24(17-36-30)15-27(39)23-8-5-7-21(14-23)16-35;1-19(21-7-3-4-8-21)37-12-10-22(11-13-37)25-18-36(2)29-27(25)28(30(31,32)33)24(17-35-29)15-26(38)23-9-5-6-20(14-23)16-34;1-17(19-6-7-19)28(38)36-10-8-20(9-11-36)23-16-35(2)27-25(23)26(29(30,31)32)22(15-34-27)13-24(37)21-5-3-4-18(12-21)14-33;1-34-16-22(19-7-9-35(10-8-19)24(37)12-17-5-6-17)25-26(28(29,30)31)21(15-33-27(25)34)13-23(36)20-4-2-3-18(11-20)14-32/h5,7-8,14,17-19,22,25H,2,4,6,9-13,15H2,1,3H3;5-6,9,14,17-18,21-22H,1,3-4,7-8,10-13,15H2,2H3;3-5,12,15-17,19-20H,6-11,13H2,1-2H3;2-4,11,15-17,19H,5-10,12-13H2,1H3/t19-,25-;;;/m1.../s1
• InChIKey: FXINTSGNCFRWBO-ADLJNGQNSA-N
• XLogP: 24.83
• TPSA: 281.82 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.34
LogP ≤ 5	24.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?

The IUPAC name of 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile (CID 158170066) is 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile.

What is the SMILES notation for 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?

The canonical SMILES for 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile is C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1.C=C([C@@H]1CCC[C@H]1C)N1CCC(c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1.CC(C(=O)N1CCC(c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1)C1CC1.Cn1cc(C2CCN(C(=O)CC3CC3)CC2)c2c(C(F)(F)F)c(CC(=O)c3cccc(C#N)c3)cnc21.

What is the InChIKey of 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?

The InChIKey is FXINTSGNCFRWBO-ADLJNGQNSA-N. The full InChI is InChI=1S/C31H33F3N4O.C30H31F3N4O.C29H29F3N4O2.C28H27F3N4O2/c1-19-6-4-9-25(19)20(2)38-12-10-22(11-13-38)26-18-37(3)30-28(26)29(31(32,33)34)24(17-36-30)15-27(39)23-8-5-7-21(14-23)16-35;1-19(21-7-3-4-8-21)37-12-10-22(11-13-37)25-18-36(2)29-27(25)28(30(31,32)33)24(17-35-29)15-26(38)23-9-5-6-20(14-23)16-34;1-17(19-6-7-19)28(38)36-10-8-20(9-11-36)23-16-35(2)27-25(23)26(29(30,31)32)22(15-34-27)13-24(37)21-5-3-4-18(12-21)14-33;1-34-16-22(19-7-9-35(10-8-19)24(37)12-17-5-6-17)25-26(28(29,30)31)21(15-33-27(25)34)13-23(36)20-4-2-3-18(11-20)14-32/h5,7-8,14,17-19,22,25H,2,4,6,9-13,15H2,1,3H3;5-6,9,14,17-18,21-22H,1,3-4,7-8,10-13,15H2,2H3;3-5,12,15-17,19-20H,6-11,13H2,1-2H3;2-4,11,15-17,19H,5-10,12-13H2,1H3/t19-,25-;;;/m1.../s1.

What are the key properties of 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?

3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile has a molecular weight of 2086.34 g/mol, XLogP of 24.83, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-3-[1-[1-[(1R,2R)-2-methylcyclopentyl]ethenyl]piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile is sourced from PubChem (CID 158170066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).