C120H99Cl2F11N30O10 — CID 158474428
N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,5-difluoro-3-methoxy-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,3-difluoro-4-methylbenzamide (PubChem CID 158474428) has the molecular formula C120H99Cl2F11N30O10 and a molecular weight of 2401.20 g/mol. Its IUPAC name is N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,5-difluoro-3-methoxy-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,3-difluoro-4-methylbenzamide.
| Compound Name | N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,5-difluoro-3-methoxy-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,3-difluoro-4-methylbenzamide |
|---|---|
| PubChem CID | 158474428 |
| Molecular Formula | C120H99Cl2F11N30O10 |
| Molecular Weight | 2401.20 g/mol |
| Exact Mass | 2398.74 |
| IUPAC Name | N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,5-difluoro-3-methoxy-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,3-difluoro-4-methylbenzamide |
| SMILES | COc1c(C)c(F)cc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1F.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c(F)c1F.Cc1cccc(C(=O)Nc2ccc(-c3cc(-c4ccco4)nn3C)c(N)n2)c1.Cn1nc(-c2ccccc2)cc1-c1ccc(N)nc1NC(=O)c1ccccc1Cl.Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1N.Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2ccccc2F)nc1N |
| InChI | InChI=1S/C22H18ClN5O.C21H19N5O2.C20H16ClN5O2.C20H16FN5O2.C19H16F5N5O2.C18H14F5N5O/c1-28-19(13-18(27-28)14-7-3-2-4-8-14)16-11-12-20(24)25-21(16)26-22(29)15-9-5-6-10-17(15)23;1-13-5-3-6-14(11-13)21(27)24-19-9-8-15(20(22)23-19)17-12-16(25-26(17)2)18-7-4-10-28-18;2*1-26-16(11-15(25-26)17-7-4-10-28-17)13-8-9-18(23-19(13)22)24-20(27)12-5-2-3-6-14(12)21;1-8-11(20)6-10(15(21)16(8)31-3)18(30)27-14-5-4-9(17(25)26-14)12-7-13(19(22,23)24)28-29(12)2;1-8-3-4-10(15(20)14(8)19)17(29)26-13-6-5-9(16(24)25-13)11-7-12(18(21,22)23)27-28(11)2/h2-13H,1H3,(H3,24,25,26,29);3-12H,1-2H3,(H3,22,23,24,27);2*2-11H,1H3,(H3,22,23,24,27);4-7H,1-3H3,(H3,25,26,27,30);3-7H,1-2H3,(H3,24,25,26,29) |
| InChIKey | HGTJHRRAXAKMHT-UHFFFAOYSA-N |
| XLogP | 24.32 |
| TPSA | 563.63 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2401.20 |
| LogP ≤ 5 | 24.32 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 34 |