3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
C115H113F15N24O10S — CID 158324483
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCC(=O)c1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CCC(=O)Nc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CN(C)C(=O)Nc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CNS(=O)(=O)c1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.Cc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1
InChIInChI=1S/C24H25F3N6O2.C24H24F3N5O2.C23H21F3N4O2.C22H22F3N5O3S.C22H21F3N4O/c1-31(2)23(35)28-17-7-8-20-29-30-21(33(20)13-17)22(34)32-11-15-9-14(10-16(15)12-32)18-5-3-4-6-19(18)24(25,26)27;1-2-21(33)28-17-7-8-20-29-30-22(32(20)13-17)23(34)31-11-15-9-14(10-16(15)12-31)18-5-3-4-6-19(18)24(25,26)27;1-13(31)14-6-7-20-27-28-21(30(20)12-14)22(32)29-10-16-8-15(9-17(16)11-29)18-4-2-3-5-19(18)23(24,25)26;1-26-34(32,33)16-6-7-19-27-28-20(30(19)12-16)21(31)29-10-14-8-13(9-15(14)11-29)17-4-2-3-5-18(17)22(23,24)25;1-13-6-7-19-26-27-20(29(19)10-13)21(30)28-11-15-8-14(9-16(15)12-28)17-4-2-3-5-18(17)22(23,24)25/h3-8,13-16H,9-12H2,1-2H3,(H,28,35);3-8,13-16H,2,9-12H2,1H3,(H,28,33);2-7,12,15-17H,8-11H2,1H3;2-7,12-15,26H,8-11H2,1H3;2-7,10,14-16H,8-9,11-12H2,1H3/t2*14?,15-,16+;15?,16-,17+;13?,14-,15+;14?,15-,16+
InChIKeyGPFZFQGAPNMRDA-KGTPHOOUSA-N
MW2308.36 g/mol
LogP19.93
Rot. Bonds16
About 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (PubChem CID 158324483) has the molecular formula C115H113F15N24O10S and a molecular weight of 2308.36 g/mol. Its IUPAC name is 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.
Molecular Properties
| Compound Name | 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone |
|---|---|
| PubChem CID | 158324483 |
| Molecular Formula | C115H113F15N24O10S |
| Molecular Weight | 2308.36 g/mol |
| Exact Mass | 2306.86 |
| IUPAC Name | 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone |
| SMILES | CC(=O)c1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CCC(=O)Nc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CN(C)C(=O)Nc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CNS(=O)(=O)c1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.Cc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1 |
| InChI | InChI=1S/C24H25F3N6O2.C24H24F3N5O2.C23H21F3N4O2.C22H22F3N5O3S.C22H21F3N4O/c1-31(2)23(35)28-17-7-8-20-29-30-21(33(20)13-17)22(34)32-11-15-9-14(10-16(15)12-32)18-5-3-4-6-19(18)24(25,26)27;1-2-21(33)28-17-7-8-20-29-30-22(32(20)13-17)23(34)31-11-15-9-14(10-16(15)12-31)18-5-3-4-6-19(18)24(25,26)27;1-13(31)14-6-7-20-27-28-21(30(20)12-14)22(32)29-10-16-8-15(9-17(16)11-29)18-4-2-3-5-19(18)23(24,25)26;1-26-34(32,33)16-6-7-19-27-28-20(30(19)12-16)21(31)29-10-14-8-13(9-15(14)11-29)17-4-2-3-5-18(17)22(23,24)25;1-13-6-7-19-26-27-20(29(19)10-13)21(30)28-11-15-8-14(9-16(15)12-28)17-4-2-3-5-18(17)22(23,24)25/h3-8,13-16H,9-12H2,1-2H3,(H,28,35);3-8,13-16H,2,9-12H2,1H3,(H,28,33);2-7,12,15-17H,8-11H2,1H3;2-7,12-15,26H,8-11H2,1H3;2-7,10,14-16H,8-9,11-12H2,1H3/t2*14?,15-,16+;15?,16-,17+;13?,14-,15+;14?,15-,16+ |
| InChIKey | GPFZFQGAPNMRDA-KGTPHOOUSA-N |
| XLogP | 19.93 |
| TPSA | 377.18 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 165 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2308.36 |
| LogP ≤ 5 | 19.93 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The IUPAC name of 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (CID 158324483) is 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.
What is the SMILES notation for 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The canonical SMILES for 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is CC(=O)c1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CCC(=O)Nc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CN(C)C(=O)Nc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.CNS(=O)(=O)c1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.Cc1ccc2nnc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n2c1.
What is the InChIKey of 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The InChIKey is GPFZFQGAPNMRDA-KGTPHOOUSA-N. The full InChI is InChI=1S/C24H25F3N6O2.C24H24F3N5O2.C23H21F3N4O2.C22H22F3N5O3S.C22H21F3N4O/c1-31(2)23(35)28-17-7-8-20-29-30-21(33(20)13-17)22(34)32-11-15-9-14(10-16(15)12-32)18-5-3-4-6-19(18)24(25,26)27;1-2-21(33)28-17-7-8-20-29-30-22(32(20)13-17)23(34)31-11-15-9-14(10-16(15)12-31)18-5-3-4-6-19(18)24(25,26)27;1-13(31)14-6-7-20-27-28-21(30(20)12-14)22(32)29-10-16-8-15(9-17(16)11-29)18-4-2-3-5-19(18)23(24,25)26;1-26-34(32,33)16-6-7-19-27-28-20(30(19)12-16)21(31)29-10-14-8-13(9-15(14)11-29)17-4-2-3-5-18(17)22(23,24)25;1-13-6-7-19-26-27-20(29(19)10-13)21(30)28-11-15-8-14(9-16(15)12-28)17-4-2-3-5-18(17)22(23,24)25/h3-8,13-16H,9-12H2,1-2H3,(H,28,35);3-8,13-16H,2,9-12H2,1H3,(H,28,33);2-7,12,15-17H,8-11H2,1H3;2-7,12-15,26H,8-11H2,1H3;2-7,10,14-16H,8-9,11-12H2,1H3/t2*14?,15-,16+;15?,16-,17+;13?,14-,15+;14?,15-,16+.
What are the key properties of 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone has a molecular weight of 2308.36 g/mol, XLogP of 19.93, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;N-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is sourced from PubChem (CID 158324483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158324483 — identifiers, structure, computed properties (public domain)
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