C133H128F2N46O11 — CID 158642107
3-[1-(cyclopropylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-[(2,2-difluorocyclopropyl)methyl]triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-(furan-2-ylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrimidin-4-ylmethyl)triazol-4-yl]propan-1-one (PubChem CID 158642107) has the molecular formula C133H128F2N46O11 and a molecular weight of 2584.79 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-[(2,2-difluorocyclopropyl)methyl]triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-(furan-2-ylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrimidin-4-ylmethyl)triazol-4-yl]propan-1-one.
| Compound Name | 3-[1-(cyclopropylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-[(2,2-difluorocyclopropyl)methyl]triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-(furan-2-ylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrimidin-4-ylmethyl)triazol-4-yl]propan-1-one |
|---|---|
| PubChem CID | 158642107 |
| Molecular Formula | C133H128F2N46O11 |
| Molecular Weight | 2584.79 g/mol |
| Exact Mass | 2583.08 |
| IUPAC Name | 3-[1-(cyclopropylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-[(2,2-difluorocyclopropyl)methyl]triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-(furan-2-ylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(pyrimidin-4-ylmethyl)triazol-4-yl]propan-1-one |
| SMILES | O=C(CCc1cn(CC2CC2(F)F)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(CC2CCCO2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(CC2CCO2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(Cc2ccco2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(Cc2ccncn2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(Cc2cnccn2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(Cc2ncccn2)nn1)c1n[nH]c2ccccc12 |
| InChI | InChI=1S/3C17H15N7O.C17H19N5O2.C17H15N5O2.C16H15F2N5O.C16H17N5O2.C16H17N5O/c25-15(17-13-4-1-2-5-14(13)21-22-17)7-6-12-10-24(23-20-12)11-16-18-8-3-9-19-16;25-16(17-14-3-1-2-4-15(14)21-22-17)6-5-13-10-24(23-20-13)9-12-7-8-18-11-19-12;25-16(17-14-3-1-2-4-15(14)21-22-17)6-5-12-10-24(23-20-12)11-13-9-18-7-8-19-13;2*23-16(17-14-5-1-2-6-15(14)19-20-17)8-7-12-10-22(21-18-12)11-13-4-3-9-24-13;17-16(18)7-10(16)8-23-9-11(19-22-23)5-6-14(24)15-12-3-1-2-4-13(12)20-21-15;22-15(16-13-3-1-2-4-14(13)18-19-16)6-5-11-9-21(20-17-11)10-12-7-8-23-12;22-15(16-13-3-1-2-4-14(13)18-19-16)8-7-12-10-21(20-17-12)9-11-5-6-11/h1-5,8-10H,6-7,11H2,(H,21,22);1-4,7-8,10-11H,5-6,9H2,(H,21,22);1-4,7-10H,5-6,11H2,(H,21,22);1-2,5-6,10,13H,3-4,7-9,11H2,(H,19,20);1-6,9-10H,7-8,11H2,(H,19,20);1-4,9-10H,5-8H2,(H,20,21);1-4,9,12H,5-8,10H2,(H,18,19);1-4,10-11H,5-9H2,(H,18,19) |
| InChIKey | IANBPVFLQMOTRO-UHFFFAOYSA-N |
| XLogP | 16.95 |
| TPSA | 720.62 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2584.79 |
| LogP ≤ 5 | 16.95 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 49 |