C95H96F11N21O11 — CID 158057303
5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 158057303) has the molecular formula C95H96F11N21O11 and a molecular weight of 1916.93 g/mol. Its IUPAC name is 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.
| Compound Name | 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide |
|---|---|
| PubChem CID | 158057303 |
| Molecular Formula | C95H96F11N21O11 |
| Molecular Weight | 1916.93 g/mol |
| Exact Mass | 1915.74 |
| IUPAC Name | 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide |
| SMILES | Cc1ccc(F)cc1C(=O)NCc1c(F)cc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CNCC3(F)F)c(N)c2C(N)=O)cc1F |
| InChI | InChI=1S/2C24H24F3N5O3.C24H25F2N5O3.C23H23F3N6O2/c1-12-4-6-14(25)9-17(12)24(34)30-10-13-5-7-16(20(27)19(13)26)21-18(23(29)33)22(28)32(31-21)15-3-2-8-35-11-15;1-12-4-5-14(25)9-16(12)24(34)30-10-17-18(26)7-13(8-19(17)27)21-20(23(29)33)22(28)32(31-21)15-3-2-6-35-11-15;1-13-5-2-3-7-16(13)24(33)29-11-14-8-9-17(20(26)19(14)25)21-18(23(28)32)22(27)31(30-21)15-6-4-10-34-12-15;1-12-4-2-3-5-15(12)22(34)30-9-14-7-6-13(8-16(14)24)19-18(21(28)33)20(27)32(31-19)17-10-29-11-23(17,25)26/h4-7,9,15H,2-3,8,10-11,28H2,1H3,(H2,29,33)(H,30,34);4-5,7-9,15H,2-3,6,10-11,28H2,1H3,(H2,29,33)(H,30,34);2-3,5,7-9,15H,4,6,10-12,27H2,1H3,(H2,28,32)(H,29,33);2-8,17,29H,9-11,27H2,1H3,(H2,28,33)(H,30,34) |
| InChIKey | FKFGCJDJMWLAQM-UHFFFAOYSA-N |
| XLogP | 11.96 |
| TPSA | 503.84 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1916.93 |
| LogP ≤ 5 | 11.96 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 24 |