C138H149F3N38O22S7 — CID 160772049
N-[[4-(4-aminopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[4-(cyanomethyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-cyanopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[4-(3,3,3-trifluoropropyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 160772049) has the molecular formula C138H149F3N38O22S7 and a molecular weight of 2973.42 g/mol. Its IUPAC name is N-[[4-(4-aminopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[4-(cyanomethyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-cyanopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[4-(3,3,3-trifluoropropyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
| Compound Name | N-[[4-(4-aminopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[4-(cyanomethyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-cyanopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[4-(3,3,3-trifluoropropyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
|---|---|
| PubChem CID | 160772049 |
| Molecular Formula | C138H149F3N38O22S7 |
| Molecular Weight | 2973.42 g/mol |
| Exact Mass | 2970.97 |
| IUPAC Name | N-[[4-(4-aminopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[4-(cyanomethyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-cyanopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[4-(3,3,3-trifluoropropyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| SMILES | N#CC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)CC1.N#CCC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)CC1.NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)C1.NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCC(CCC(F)(F)F)CC2)cc1)c1cnc2[nH]ncc2c1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cnc2[nH]ncc2c1 |
| InChI | InChI=1S/C22H24F3N5O3S.C21H22N6O3S.C20H20N6O3S.C19H22N6O3S.C19H21N5O3S.C19H20N4O4S.C18H20N6O3S/c23-22(24,25)8-5-15-6-9-30(10-7-15)34(32,33)19-3-1-16(2-4-19)12-27-21(31)18-11-17-14-28-29-20(17)26-13-18;22-8-5-15-6-9-27(10-7-15)31(29,30)19-3-1-16(2-4-19)12-24-21(28)18-11-17-14-25-26-20(17)23-13-18;21-10-14-5-7-26(8-6-14)30(28,29)18-3-1-15(2-4-18)11-23-20(27)17-9-16-13-24-25-19(16)22-12-17;20-16-5-7-25(8-6-16)29(27,28)17-3-1-13(2-4-17)10-22-19(26)15-9-14-12-23-24-18(14)21-11-15;20-15-6-8-24(12-15)28(26,27)16-3-1-13(2-4-16)10-22-19(25)18-9-14-11-21-7-5-17(14)23-18;24-19(17-11-15-5-6-21-13-18(15)27-17)22-12-14-1-3-16(4-2-14)28(25,26)23-9-7-20-8-10-23;25-18(15-9-14-12-22-23-17(14)20-11-15)21-10-13-1-3-16(4-2-13)28(26,27)24-7-5-19-6-8-24/h1-4,11,13-15H,5-10,12H2,(H,27,31)(H,26,28,29);1-4,11,13-15H,5-7,9-10,12H2,(H,24,28)(H,23,25,26);1-4,9,12-14H,5-8,11H2,(H,23,27)(H,22,24,25);1-4,9,11-12,16H,5-8,10,20H2,(H,22,26)(H,21,23,24);1-5,7,9,11,15,23H,6,8,10,12,20H2,(H,22,25);1-6,11,13,20H,7-10,12H2,(H,22,24);1-4,9,11-12,19H,5-8,10H2,(H,21,25)(H,20,22,23) |
| InChIKey | RZLGYEGZPQJLDF-UHFFFAOYSA-N |
| XLogP | 11.69 |
| TPSA | 851.60 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2973.42 |
| LogP ≤ 5 | 11.69 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 40 |