1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
C118H116F5N31O6S5 — CID 159286497
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCCOCCc1sc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)nc1C.CCc1cnc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)s1.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cn1ncc(-c2nc(C(F)F)c(C3CC3)s2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.[C-]#[N+]c1csc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C26H30N6O2S.C25H24F2N6OS.C23H24N6OS.C22H19F3N6OS.C22H19N7OS/c1-4-34-13-11-22-17(2)28-26(35-22)20-16-27-31(3)24(20)21(33)14-18-10-12-32-23(15-18)29-25(30-32)19-8-6-5-7-9-19;1-32-21(17(13-28-32)25-30-20(23(26)27)22(35-25)15-7-8-15)18(34)11-14-9-10-33-19(12-14)29-24(31-33)16-5-3-2-4-6-16;1-3-17-13-24-23(31-17)18-14-25-28(2)21(18)19(30)11-15-9-10-29-20(12-15)26-22(27-29)16-7-5-4-6-8-16;1-30-19(15(11-26-30)21-27-17(12-33-21)22(23,24)25)16(32)9-13-7-8-31-18(10-13)28-20(29-31)14-5-3-2-4-6-14;1-23-18-13-31-22(25-18)16-12-24-28(2)20(16)17(30)10-14-8-9-29-19(11-14)26-21(27-29)15-6-4-3-5-7-15/h5-9,16,18H,4,10-15H2,1-3H3;2-6,13-15,23H,7-12H2,1H3;4-8,13-15H,3,9-12H2,1-2H3;2-6,11-13H,7-10H2,1H3;3-7,12-14H,8-11H2,2H3
InChIKeyKZOSLDQLFMWWDH-UHFFFAOYSA-N
MW2319.76 g/mol
LogP23.02
Rot. Bonds32
About 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 159286497) has the molecular formula C118H116F5N31O6S5 and a molecular weight of 2319.76 g/mol. Its IUPAC name is 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
Molecular Properties
| Compound Name | 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone |
|---|---|
| PubChem CID | 159286497 |
| Molecular Formula | C118H116F5N31O6S5 |
| Molecular Weight | 2319.76 g/mol |
| Exact Mass | 2317.82 |
| IUPAC Name | 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone |
| SMILES | CCOCCc1sc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)nc1C.CCc1cnc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)s1.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cn1ncc(-c2nc(C(F)F)c(C3CC3)s2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.[C-]#[N+]c1csc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)n1 |
| InChI | InChI=1S/C26H30N6O2S.C25H24F2N6OS.C23H24N6OS.C22H19F3N6OS.C22H19N7OS/c1-4-34-13-11-22-17(2)28-26(35-22)20-16-27-31(3)24(20)21(33)14-18-10-12-32-23(15-18)29-25(30-32)19-8-6-5-7-9-19;1-32-21(17(13-28-32)25-30-20(23(26)27)22(35-25)15-7-8-15)18(34)11-14-9-10-33-19(12-14)29-24(31-33)16-5-3-2-4-6-16;1-3-17-13-24-23(31-17)18-14-25-28(2)21(18)19(30)11-15-9-10-29-20(12-15)26-22(27-29)16-7-5-4-6-8-16;1-30-19(15(11-26-30)21-27-17(12-33-21)22(23,24)25)16(32)9-13-7-8-31-18(10-13)28-20(29-31)14-5-3-2-4-6-14;1-23-18-13-31-22(25-18)16-12-24-28(2)20(16)17(30)10-14-8-9-29-19(11-14)26-21(27-29)15-6-4-3-5-7-15/h5-9,16,18H,4,10-15H2,1-3H3;2-6,13-15,23H,7-12H2,1H3;4-8,13-15H,3,9-12H2,1-2H3;2-6,11-13H,7-10H2,1H3;3-7,12-14H,8-11H2,2H3 |
| InChIKey | KZOSLDQLFMWWDH-UHFFFAOYSA-N |
| XLogP | 23.02 |
| TPSA | 406.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 165 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2319.76 |
| LogP ≤ 5 | 23.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 41 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 159286497) is 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is CCOCCc1sc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)nc1C.CCc1cnc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)s1.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cn1ncc(-c2nc(C(F)F)c(C3CC3)s2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.[C-]#[N+]c1csc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)n1.
What is the InChIKey of 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is KZOSLDQLFMWWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S.C25H24F2N6OS.C23H24N6OS.C22H19F3N6OS.C22H19N7OS/c1-4-34-13-11-22-17(2)28-26(35-22)20-16-27-31(3)24(20)21(33)14-18-10-12-32-23(15-18)29-25(30-32)19-8-6-5-7-9-19;1-32-21(17(13-28-32)25-30-20(23(26)27)22(35-25)15-7-8-15)18(34)11-14-9-10-33-19(12-14)29-24(31-33)16-5-3-2-4-6-16;1-3-17-13-24-23(31-17)18-14-25-28(2)21(18)19(30)11-15-9-10-29-20(12-15)26-22(27-29)16-7-5-4-6-8-16;1-30-19(15(11-26-30)21-27-17(12-33-21)22(23,24)25)16(32)9-13-7-8-31-18(10-13)28-20(29-31)14-5-3-2-4-6-14;1-23-18-13-31-22(25-18)16-12-24-28(2)20(16)17(30)10-14-8-9-29-19(11-14)26-21(27-29)15-6-4-3-5-7-15/h5-9,16,18H,4,10-15H2,1-3H3;2-6,13-15,23H,7-12H2,1H3;4-8,13-15H,3,9-12H2,1-2H3;2-6,11-13H,7-10H2,1H3;3-7,12-14H,8-11H2,2H3.
What are the key properties of 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 2319.76 g/mol, XLogP of 23.02, 32 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 159286497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159286497 — identifiers, structure, computed properties (public domain)
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