C131H145N37O23S7 — CID 158949829
N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 158949829) has the molecular formula C131H145N37O23S7 and a molecular weight of 2830.31 g/mol. Its IUPAC name is N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
| Compound Name | N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158949829 |
| Molecular Formula | C131H145N37O23S7 |
| Molecular Weight | 2830.31 g/mol |
| Exact Mass | 2827.94 |
| IUPAC Name | N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide |
| SMILES | COC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)CC1.NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)C1.NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)C1.NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)C1.NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cc2cnccc2[nH]1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cnc2nccn2c1 |
| InChI | InChI=1S/C20H23N5O4S.2C19H21N5O3S.C19H20N4O4S.3C18H20N6O3S/c1-29-17-6-8-25(9-7-17)30(27,28)18-4-2-14(3-5-18)11-22-20(26)16-10-15-13-23-24-19(15)21-12-16;20-16-7-9-24(13-16)28(26,27)17-4-1-14(2-5-17)11-22-19(25)15-3-6-18-21-8-10-23(18)12-15;25-19(18-11-15-13-21-6-5-17(15)23-18)22-12-14-1-3-16(4-2-14)28(26,27)24-9-7-20-8-10-24;20-15-6-8-23(12-15)28(25,26)16-3-1-13(2-4-16)10-22-19(24)17-9-14-5-7-21-11-18(14)27-17;25-17(15-12-22-18-20-7-8-23(18)13-15)21-11-14-1-3-16(4-2-14)28(26,27)24-9-5-19-6-10-24;19-15-5-7-24(12-15)28(26,27)16-3-1-13(2-4-16)9-21-17(25)14-10-22-18-20-6-8-23(18)11-14;19-15-5-6-24(11-15)28(26,27)16-3-1-12(2-4-16)8-21-18(25)14-7-13-10-22-23-17(13)20-9-14/h2-5,10,12-13,17H,6-9,11H2,1H3,(H,22,26)(H,21,23,24);1-6,8,10,12,16H,7,9,11,13,20H2,(H,22,25);1-6,11,13,20,23H,7-10,12H2,(H,22,25);1-5,7,9,11,15H,6,8,10,12,20H2,(H,22,24);1-4,7-8,12-13,19H,5-6,9-11H2,(H,21,25);1-4,6,8,10-11,15H,5,7,9,12,19H2,(H,21,25);1-4,7,9-10,15H,5-6,8,11,19H2,(H,21,25)(H,20,22,23) |
| InChIKey | JLHAPMDCPFISDQ-UHFFFAOYSA-N |
| XLogP | 6.48 |
| TPSA | 818.26 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2830.31 |
| LogP ≤ 5 | 6.48 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 43 |