3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile

C122H127F13N16O7 — CID 159073203

About 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile

3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile (PubChem CID 159073203) has the molecular formula C122H127F13N16O7 and a molecular weight of 2176.44 g/mol. Its IUPAC name is 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile.

Molecular Properties

• Compound Name: 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile
• PubChem CID: 159073203
• Molecular Formula: C122H127F13N16O7
• Molecular Weight: 2176.44 g/mol
• Exact Mass: 2174.99
• IUPAC Name: 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile
• SMILES: C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4ccc(C)c(C#N)c4)c(C(F)(F)F)c23)CC1.C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4ccc(F)c(C#N)c4)c(C(F)(F)F)c23)CC1.C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4ccc(OC)c(C#N)c4)c(C(F)(F)F)c23)CC1.COc1cc(C#N)cc(C(=O)Cc2cnc3c(c(C4CCN(C(=O)C5CCCC5)CC4)cn3C)c2C(F)(F)F)c1
• InChI: InChI=1S/C31H33F3N4O2.C31H33F3N4O.C30H30F4N4O.C30H31F3N4O3/c1-19(20-6-4-5-7-20)38-12-10-21(11-13-38)25-18-37(2)30-28(25)29(31(32,33)34)24(17-36-30)15-26(39)22-8-9-27(40-3)23(14-22)16-35;1-19-8-9-23(14-24(19)16-35)27(39)15-25-17-36-30-28(29(25)31(32,33)34)26(18-37(30)3)22-10-12-38(13-11-22)20(2)21-6-4-5-7-21;1-18(19-5-3-4-6-19)38-11-9-20(10-12-38)24-17-37(2)29-27(24)28(30(32,33)34)23(16-36-29)14-26(39)21-7-8-25(31)22(13-21)15-35;1-36-17-24(19-7-9-37(10-8-19)29(39)20-5-3-4-6-20)26-27(30(31,32)33)22(16-35-28(26)36)14-25(38)21-11-18(15-34)12-23(13-21)40-2/h8-9,14,17-18,20-21H,1,4-7,10-13,15H2,2-3H3;8-9,14,17-18,21-22H,2,4-7,10-13,15H2,1,3H3;7-8,13,16-17,19-20H,1,3-6,9-12,14H2,2H3;11-13,16-17,19-20H,3-10,14H2,1-2H3
• InChIKey: JZXRIKFOMBMAKU-UHFFFAOYSA-N
• XLogP: 26.57
• TPSA: 283.21 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2176.44
LogP ≤ 5	26.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile?

The IUPAC name of 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile (CID 159073203) is 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile.

What is the SMILES notation for 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile?

The canonical SMILES for 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile is C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4ccc(C)c(C#N)c4)c(C(F)(F)F)c23)CC1.C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4ccc(F)c(C#N)c4)c(C(F)(F)F)c23)CC1.C=C(C1CCCC1)N1CCC(c2cn(C)c3ncc(CC(=O)c4ccc(OC)c(C#N)c4)c(C(F)(F)F)c23)CC1.COc1cc(C#N)cc(C(=O)Cc2cnc3c(c(C4CCN(C(=O)C5CCCC5)CC4)cn3C)c2C(F)(F)F)c1.

What is the InChIKey of 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile?

The InChIKey is JZXRIKFOMBMAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N4O2.C31H33F3N4O.C30H30F4N4O.C30H31F3N4O3/c1-19(20-6-4-5-7-20)38-12-10-21(11-13-38)25-18-37(2)30-28(25)29(31(32,33)34)24(17-36-30)15-26(39)22-8-9-27(40-3)23(14-22)16-35;1-19-8-9-23(14-24(19)16-35)27(39)15-25-17-36-30-28(29(25)31(32,33)34)26(18-37(30)3)22-10-12-38(13-11-22)20(2)21-6-4-5-7-21;1-18(19-5-3-4-6-19)38-11-9-20(10-12-38)24-17-37(2)29-27(24)28(30(32,33)34)23(16-36-29)14-26(39)21-7-8-25(31)22(13-21)15-35;1-36-17-24(19-7-9-37(10-8-19)29(39)20-5-3-4-6-20)26-27(30(31,32)33)22(16-35-28(26)36)14-25(38)21-11-18(15-34)12-23(13-21)40-2/h8-9,14,17-18,20-21H,1,4-7,10-13,15H2,2-3H3;8-9,14,17-18,21-22H,2,4-7,10-13,15H2,1,3H3;7-8,13,16-17,19-20H,1,3-6,9-12,14H2,2H3;11-13,16-17,19-20H,3-10,14H2,1-2H3.

What are the key properties of 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile?

3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile has a molecular weight of 2176.44 g/mol, XLogP of 26.57, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-5-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methoxybenzonitrile;5-[2-[3-[1-(1-cyclopentylethenyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-methylbenzonitrile is sourced from PubChem (CID 159073203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).