C130H119F12N27O21S6 — CID 159525342
N-[4-[6-amino-5-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[2-amino-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-(6-amino-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide;3,4-difluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-(2,4-difluorophenyl)-2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;4-fluoro-2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 159525342) has the molecular formula C130H119F12N27O21S6 and a molecular weight of 2815.93 g/mol. Its IUPAC name is N-[4-[6-amino-5-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[2-amino-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-(6-amino-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide;3,4-difluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-(2,4-difluorophenyl)-2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;4-fluoro-2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide.
| Compound Name | N-[4-[6-amino-5-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[2-amino-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-(6-amino-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide;3,4-difluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-(2,4-difluorophenyl)-2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;4-fluoro-2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide |
|---|---|
| PubChem CID | 159525342 |
| Molecular Formula | C130H119F12N27O21S6 |
| Molecular Weight | 2815.93 g/mol |
| Exact Mass | 2813.72 |
| IUPAC Name | N-[4-[6-amino-5-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[2-amino-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-(6-amino-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide;3,4-difluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-(2,4-difluorophenyl)-2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;4-fluoro-2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide |
| SMILES | CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)c(F)c3)c2)ccn1.CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)ccn1.CC(=O)Cc1cc(-c2cnc(N)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCC(F)(F)C3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(N)(=O)=O)c2)ccn1.CNc1ncc(-c2ccnc(CC(C)=O)c2)cc1S(=O)(=O)Nc1ccc(F)cc1F.COc1cc(F)ccc1S(=O)(=O)Nc1cc(-c2ccnc(CC(C)=O)c2)cnc1C |
| InChI | InChI=1S/C21H18F3N3O3S.C21H20FN3O4S.C20H18F2N4O3S.C20H17F2N3O3S.C19H16F2N4O3S.C17H17F2N5O2.C12H13N5O3S/c1-13(28)9-17-10-15(7-8-25-17)16-11-19(14(2)26-12-16)27-31(29,30)20-6-4-3-5-18(20)21(22,23)24;1-13(26)8-18-9-15(6-7-23-18)16-10-19(14(2)24-12-16)25-30(27,28)21-5-4-17(22)11-20(21)29-3;1-12(27)7-16-8-13(5-6-24-16)14-9-19(20(23-2)25-11-14)30(28,29)26-18-4-3-15(21)10-17(18)22;1-12(26)7-16-8-14(5-6-23-16)15-9-20(13(2)24-11-15)25-29(27,28)17-3-4-18(21)19(22)10-17;1-11(26)6-15-7-12(4-5-23-15)13-8-17(19(22)24-10-13)25-29(27,28)18-3-2-14(20)9-16(18)21;1-10(25)23-14-7-11(2-4-21-14)12-6-13(15(20)22-8-12)16(26)24-5-3-17(18,19)9-24;1-7(18)17-11-5-8(2-3-15-11)9-4-10(21(14,19)20)12(13)16-6-9/h3-8,10-12,27H,9H2,1-2H3;4-7,9-12,25H,8H2,1-3H3;3-6,8-11,26H,7H2,1-2H3,(H,23,25);3-6,8-11,25H,7H2,1-2H3;2-5,7-10,25H,6H2,1H3,(H2,22,24);2,4,6-8H,3,5,9H2,1H3,(H2,20,22)(H,21,23,25);2-6H,1H3,(H2,13,16)(H2,14,19,20)(H,15,17,18) |
| InChIKey | MCHUOCZJAFYZFY-UHFFFAOYSA-N |
| XLogP | 20.43 |
| TPSA | 734.65 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2815.93 |
| LogP ≤ 5 | 20.43 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 39 |