C122H129FN20O15 — CID 159989043
N-[[6-(benzylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(2-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(3-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 159989043) has the molecular formula C122H129FN20O15 and a molecular weight of 2134.50 g/mol. Its IUPAC name is N-[[6-(benzylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(2-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(3-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
| Compound Name | N-[[6-(benzylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(2-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(3-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 159989043 |
| Molecular Formula | C122H129FN20O15 |
| Molecular Weight | 2134.50 g/mol |
| Exact Mass | 2132.99 |
| IUPAC Name | N-[[6-(benzylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(2-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(3-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide |
| SMILES | C#Cc1ccc(NC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1.Cc1ccc(NC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1.Cc1cccc(CNC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)c1.O=C(NCC1CC12CCN(C(=O)NCc1ccccc1)CC2)c1cc2ccncc2o1.O=C(NCC1CC12CCN(C(=O)NCc1ccccc1F)CC2)c1cc2ccncc2o1 |
| InChI | InChI=1S/C25H28N4O3.C25H24N4O3.C24H25FN4O3.2C24H26N4O3/c1-17-3-2-4-18(11-17)14-28-24(31)29-9-6-25(7-10-29)13-20(25)15-27-23(30)21-12-19-5-8-26-16-22(19)32-21;1-2-17-3-5-20(6-4-17)28-24(31)29-11-8-25(9-12-29)14-19(25)15-27-23(30)21-13-18-7-10-26-16-22(18)32-21;25-19-4-2-1-3-17(19)13-28-23(31)29-9-6-24(7-10-29)12-18(24)14-27-22(30)20-11-16-5-8-26-15-21(16)32-20;1-16-2-4-19(5-3-16)27-23(30)28-10-7-24(8-11-28)13-18(24)14-26-22(29)20-12-17-6-9-25-15-21(17)31-20;29-22(20-12-18-6-9-25-16-21(18)31-20)26-15-19-13-24(19)7-10-28(11-8-24)23(30)27-14-17-4-2-1-3-5-17/h2-5,8,11-12,16,20H,6-7,9-10,13-15H2,1H3,(H,27,30)(H,28,31);1,3-7,10,13,16,19H,8-9,11-12,14-15H2,(H,27,30)(H,28,31);1-5,8,11,15,18H,6-7,9-10,12-14H2,(H,27,30)(H,28,31);2-6,9,12,15,18H,7-8,10-11,13-14H2,1H3,(H,26,29)(H,27,30);1-6,9,12,16,19H,7-8,10-11,13-15H2,(H,26,29)(H,27,30) |
| InChIKey | OGSBOLNJZOCSFA-UHFFFAOYSA-N |
| XLogP | 19.23 |
| TPSA | 437.35 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2134.50 |
| LogP ≤ 5 | 19.23 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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