5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
C111H105F15N16O6 — CID 161251381
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.O=C(C1=Cc2ncccc2C1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ccc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H25F3N4O2.C24H21F3N4O.2C21H20F3N3O.C21H19F3N2O/c25-24(26,27)19-4-2-1-3-18(19)16-5-7-31(8-6-16)23(32)22-14-20-21(29-22)13-17(15-28-20)30-9-11-33-12-10-30;25-24(26,27)20-4-2-1-3-19(20)16-7-10-30(11-8-16)23(32)22-13-17-5-6-18(14-21(17)29-22)31-12-9-28-15-31;2*1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;22-21(23,24)18-6-2-1-5-17(18)14-7-10-26(11-8-14)20(27)16-12-15-4-3-9-25-19(15)13-16/h1-4,13-16,29H,5-12H2;1-6,9,12-16,29H,7-8,10-11H2;2*2-7,12,14,26H,8-11H2,1H3;1-6,9,13-14H,7-8,10-12H2
InChIKeyVBHYMBPYWKJZOQ-UHFFFAOYSA-N
MW2044.14 g/mol
LogP24.10
Rot. Bonds12
About 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 161251381) has the molecular formula C111H105F15N16O6 and a molecular weight of 2044.14 g/mol. Its IUPAC name is 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
Molecular Properties
| Compound Name | 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 161251381 |
| Molecular Formula | C111H105F15N16O6 |
| Molecular Weight | 2044.14 g/mol |
| Exact Mass | 2042.82 |
| IUPAC Name | 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
| SMILES | Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.O=C(C1=Cc2ncccc2C1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ccc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C24H25F3N4O2.C24H21F3N4O.2C21H20F3N3O.C21H19F3N2O/c25-24(26,27)19-4-2-1-3-18(19)16-5-7-31(8-6-16)23(32)22-14-20-21(29-22)13-17(15-28-20)30-9-11-33-12-10-30;25-24(26,27)20-4-2-1-3-19(20)16-7-10-30(11-8-16)23(32)22-13-17-5-6-18(14-21(17)29-22)31-12-9-28-15-31;2*1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;22-21(23,24)18-6-2-1-5-17(18)14-7-10-26(11-8-14)20(27)16-12-15-4-3-9-25-19(15)13-16/h1-4,13-16,29H,5-12H2;1-6,9,12-16,29H,7-8,10-11H2;2*2-7,12,14,26H,8-11H2,1H3;1-6,9,13-14H,7-8,10-12H2 |
| InChIKey | VBHYMBPYWKJZOQ-UHFFFAOYSA-N |
| XLogP | 24.10 |
| TPSA | 246.56 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 148 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2044.14 |
| LogP ≤ 5 | 24.10 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 13 |
Frequently Asked Questions
What is the IUPAC name of 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 161251381) is 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.O=C(C1=Cc2ncccc2C1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ccc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is VBHYMBPYWKJZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2.C24H21F3N4O.2C21H20F3N3O.C21H19F3N2O/c25-24(26,27)19-4-2-1-3-18(19)16-5-7-31(8-6-16)23(32)22-14-20-21(29-22)13-17(15-28-20)30-9-11-33-12-10-30;25-24(26,27)20-4-2-1-3-19(20)16-7-10-30(11-8-16)23(32)22-13-17-5-6-18(14-21(17)29-22)31-12-9-28-15-31;2*1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;22-21(23,24)18-6-2-1-5-17(18)14-7-10-26(11-8-14)20(27)16-12-15-4-3-9-25-19(15)13-16/h1-4,13-16,29H,5-12H2;1-6,9,12-16,29H,7-8,10-11H2;2*2-7,12,14,26H,8-11H2,1H3;1-6,9,13-14H,7-8,10-12H2.
What are the key properties of 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 2044.14 g/mol, XLogP of 24.10, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-indol-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 161251381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161251381 — identifiers, structure, computed properties (public domain)
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