C92H98F8N20O9 — CID 158487715
5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 158487715) has the molecular formula C92H98F8N20O9 and a molecular weight of 1779.91 g/mol. Its IUPAC name is 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
| Compound Name | 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide |
|---|---|
| PubChem CID | 158487715 |
| Molecular Formula | C92H98F8N20O9 |
| Molecular Weight | 1779.91 g/mol |
| Exact Mass | 1778.77 |
| IUPAC Name | 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide |
| SMILES | Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(CC(C)C)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(CCC(F)(F)F)c(N)c2C(N)=O)cc1 |
| InChI | InChI=1S/C25H28FN5O3.C23H26FN5O2.C22H21F4N5O2.C22H23F2N5O2/c1-14-3-8-19(26)11-20(14)25(33)29-12-16-4-6-17(7-5-16)22-21(24(28)32)23(27)31(30-22)15(2)18-9-10-34-13-18;1-13(2)12-29-21(25)19(22(26)30)20(28-29)16-7-5-15(6-8-16)11-27-23(31)18-10-17(24)9-4-14(18)3;1-12-2-7-15(23)10-16(12)21(33)29-11-13-3-5-14(6-4-13)18-17(20(28)32)19(27)31(30-18)9-8-22(24,25)26;1-11(2)29-20(25)18(21(26)30)19(28-29)13-5-6-14(17(24)8-13)10-27-22(31)16-9-15(23)7-4-12(16)3/h3-8,11,15,18H,9-10,12-13,27H2,1-2H3,(H2,28,32)(H,29,33);4-10,13H,11-12,25H2,1-3H3,(H2,26,30)(H,27,31);2-7,10H,8-9,11,27H2,1H3,(H2,28,32)(H,29,33);4-9,11H,10,25H2,1-3H3,(H2,26,30)(H,27,31) |
| InChIKey | HIHPZMZHFYXOKD-UHFFFAOYSA-N |
| XLogP | 13.36 |
| TPSA | 473.35 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 129 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1779.91 |
| LogP ≤ 5 | 13.36 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 21 |