5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
C182H180ClF2N35O19 — CID 159466776
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.CCc1ccnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)n1.COc1cccnc1CN1CCn2nc(COc3ccccc3)cc2C1=O.C[C@@H]1Cn2nc(COc3ccccc3)cc2C(=O)N1Cc1ncccc1Cl.Cc1cccc(CN2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)n1.Cc1cccc(CN2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1.Cc1cnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1C.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ncccc1F
InChIInChI=1S/2C21H22N4O2.C21H21N3O2.C20H19ClN4O2.C20H19FN4O2.C20H21N5O2.C20H20N4O3.C20H19N3O2.C19H17FN4O2/c1-15-7-6-8-17(22-15)13-24-16(2)12-25-20(21(24)26)11-18(23-25)14-27-19-9-4-3-5-10-19;1-15-10-17(22-12-16(15)2)13-24-8-9-25-20(21(24)26)11-18(23-25)14-27-19-6-4-3-5-7-19;1-16(17-8-4-2-5-9-17)23-12-13-24-20(21(23)25)14-18(22-24)15-26-19-10-6-3-7-11-19;1-14-11-25-19(10-15(23-25)13-27-16-6-3-2-4-7-16)20(26)24(14)12-18-17(21)8-5-9-22-18;1-14-3-2-4-16(22-14)12-24-9-10-25-19(20(24)26)11-17(23-25)13-27-18-7-5-15(21)6-8-18;1-2-15-8-9-21-19(22-15)13-24-10-11-25-18(20(24)26)12-16(23-25)14-27-17-6-4-3-5-7-17;1-26-19-8-5-9-21-17(19)13-23-10-11-24-18(20(23)25)12-15(22-24)14-27-16-6-3-2-4-7-16;24-20-19-13-17(15-25-18-9-5-2-6-10-18)21-23(19)12-11-22(20)14-16-7-3-1-4-8-16;20-16-7-4-8-21-17(16)12-23-9-10-24-18(19(23)25)11-14(22-24)13-26-15-5-2-1-3-6-15/h3-11,16H,12-14H2,1-2H3;3-7,10-12H,8-9,13-14H2,1-2H3;2-11,14,16H,12-13,15H2,1H3;2-10,14H,11-13H2,1H3;2-8,11H,9-10,12-13H2,1H3;3-9,12H,2,10-11,13-14H2,1H3;2-9,12H,10-11,13-14H2,1H3;1-10,13H,11-12,14-15H2;1-8,11H,9-10,12-13H2/t16-;;;14-;;;;;/m1..1...../s1
InChIKeyLVHALWXAXBKLEM-QUWUTWJASA-N
MW3235.12 g/mol
LogP27.30
Rot. Bonds47
About 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 159466776) has the molecular formula C182H180ClF2N35O19 and a molecular weight of 3235.12 g/mol. Its IUPAC name is 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
Molecular Properties
| Compound Name | 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one |
|---|---|
| PubChem CID | 159466776 |
| Molecular Formula | C182H180ClF2N35O19 |
| Molecular Weight | 3235.12 g/mol |
| Exact Mass | 3232.39 |
| IUPAC Name | 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one |
| SMILES | CC(c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.CCc1ccnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)n1.COc1cccnc1CN1CCn2nc(COc3ccccc3)cc2C1=O.C[C@@H]1Cn2nc(COc3ccccc3)cc2C(=O)N1Cc1ncccc1Cl.Cc1cccc(CN2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)n1.Cc1cccc(CN2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1.Cc1cnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1C.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ncccc1F |
| InChI | InChI=1S/2C21H22N4O2.C21H21N3O2.C20H19ClN4O2.C20H19FN4O2.C20H21N5O2.C20H20N4O3.C20H19N3O2.C19H17FN4O2/c1-15-7-6-8-17(22-15)13-24-16(2)12-25-20(21(24)26)11-18(23-25)14-27-19-9-4-3-5-10-19;1-15-10-17(22-12-16(15)2)13-24-8-9-25-20(21(24)26)11-18(23-25)14-27-19-6-4-3-5-7-19;1-16(17-8-4-2-5-9-17)23-12-13-24-20(21(23)25)14-18(22-24)15-26-19-10-6-3-7-11-19;1-14-11-25-19(10-15(23-25)13-27-16-6-3-2-4-7-16)20(26)24(14)12-18-17(21)8-5-9-22-18;1-14-3-2-4-16(22-14)12-24-9-10-25-19(20(24)26)11-17(23-25)13-27-18-7-5-15(21)6-8-18;1-2-15-8-9-21-19(22-15)13-24-10-11-25-18(20(24)26)12-16(23-25)14-27-17-6-4-3-5-7-17;1-26-19-8-5-9-21-17(19)13-23-10-11-24-18(20(23)25)12-15(22-24)14-27-16-6-3-2-4-7-16;24-20-19-13-17(15-25-18-9-5-2-6-10-18)21-23(19)12-11-22(20)14-16-7-3-1-4-8-16;20-16-7-4-8-21-17(16)12-23-9-10-24-18(19(23)25)11-14(22-24)13-26-15-5-2-1-3-6-15/h3-11,16H,12-14H2,1-2H3;3-7,10-12H,8-9,13-14H2,1-2H3;2-11,14,16H,12-13,15H2,1H3;2-10,14H,11-13H2,1H3;2-8,11H,9-10,12-13H2,1H3;3-9,12H,2,10-11,13-14H2,1H3;2-9,12H,10-11,13-14H2,1H3;1-10,13H,11-12,14-15H2;1-8,11H,9-10,12-13H2/t16-;;;14-;;;;;/m1..1...../s1 |
| InChIKey | LVHALWXAXBKLEM-QUWUTWJASA-N |
| XLogP | 27.30 |
| TPSA | 538.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 239 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3235.12 |
| LogP ≤ 5 | 27.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 45 |
Frequently Asked Questions
What is the IUPAC name of 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 159466776) is 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.CCc1ccnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)n1.COc1cccnc1CN1CCn2nc(COc3ccccc3)cc2C1=O.C[C@@H]1Cn2nc(COc3ccccc3)cc2C(=O)N1Cc1ncccc1Cl.Cc1cccc(CN2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)n1.Cc1cccc(CN2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1.Cc1cnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1C.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ncccc1F.
What is the InChIKey of 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LVHALWXAXBKLEM-QUWUTWJASA-N. The full InChI is InChI=1S/2C21H22N4O2.C21H21N3O2.C20H19ClN4O2.C20H19FN4O2.C20H21N5O2.C20H20N4O3.C20H19N3O2.C19H17FN4O2/c1-15-7-6-8-17(22-15)13-24-16(2)12-25-20(21(24)26)11-18(23-25)14-27-19-9-4-3-5-10-19;1-15-10-17(22-12-16(15)2)13-24-8-9-25-20(21(24)26)11-18(23-25)14-27-19-6-4-3-5-7-19;1-16(17-8-4-2-5-9-17)23-12-13-24-20(21(23)25)14-18(22-24)15-26-19-10-6-3-7-11-19;1-14-11-25-19(10-15(23-25)13-27-16-6-3-2-4-7-16)20(26)24(14)12-18-17(21)8-5-9-22-18;1-14-3-2-4-16(22-14)12-24-9-10-25-19(20(24)26)11-17(23-25)13-27-18-7-5-15(21)6-8-18;1-2-15-8-9-21-19(22-15)13-24-10-11-25-18(20(24)26)12-16(23-25)14-27-17-6-4-3-5-7-17;1-26-19-8-5-9-21-17(19)13-23-10-11-24-18(20(23)25)12-15(22-24)14-27-16-6-3-2-4-7-16;24-20-19-13-17(15-25-18-9-5-2-6-10-18)21-23(19)12-11-22(20)14-16-7-3-1-4-8-16;20-16-7-4-8-21-17(16)12-23-9-10-24-18(19(23)25)11-14(22-24)13-26-15-5-2-1-3-6-15/h3-11,16H,12-14H2,1-2H3;3-7,10-12H,8-9,13-14H2,1-2H3;2-11,14,16H,12-13,15H2,1H3;2-10,14H,11-13H2,1H3;2-8,11H,9-10,12-13H2,1H3;3-9,12H,2,10-11,13-14H2,1H3;2-9,12H,10-11,13-14H2,1H3;1-10,13H,11-12,14-15H2;1-8,11H,9-10,12-13H2/t16-;;;14-;;;;;/m1..1...../s1.
What are the key properties of 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 3235.12 g/mol, XLogP of 27.30, 47 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 159466776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159466776 — identifiers, structure, computed properties (public domain)
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