5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
C139H124F4N10O20 — CID 158225189
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cccc(CCC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.Cc1cccc(CCC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.Cc1ccccc1CCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(CCc1ccc(C(F)(F)F)cc1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(CCc1ccccc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12
InChIInChI=1S/C28H23F3N2O4.3C28H26N2O4.C27H23FN2O4/c29-28(30,31)16-4-1-15(2-5-16)3-6-17(34)13-21-25-20-14-18(7-9-22(20)37-26(21)25)36-23-11-12-32-27-19(23)8-10-24(35)33-27;2*1-16-3-2-4-17(13-16)5-6-18(31)14-22-26-21-15-19(7-9-23(21)34-27(22)26)33-24-11-12-29-28-20(24)8-10-25(32)30-28;1-16-4-2-3-5-17(16)6-7-18(31)14-22-26-21-15-19(8-10-23(21)34-27(22)26)33-24-12-13-29-28-20(24)9-11-25(32)30-28;28-21-4-2-1-3-15(21)5-6-16(31)13-20-25-19-14-17(7-9-22(19)34-26(20)25)33-23-11-12-29-27-18(23)8-10-24(32)30-27/h1-2,4-5,7,9,11-12,14,21,25-26H,3,6,8,10,13H2,(H,32,33,35);2*2-4,7,9,11-13,15,22,26-27H,5-6,8,10,14H2,1H3,(H,29,30,32);2-5,8,10,12-13,15,22,26-27H,6-7,9,11,14H2,1H3,(H,29,30,32);1-4,7,9,11-12,14,20,25-26H,5-6,8,10,13H2,(H,29,30,32)/t21-,25-,26+;3*22-,26-,27+;20-,25-,26+/m00000/s1
InChIKeyGDSBVLXGIIQOFR-MOWIZWEOSA-N
MW2330.56 g/mol
LogP26.21
Rot. Bonds35
About 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 158225189) has the molecular formula C139H124F4N10O20 and a molecular weight of 2330.56 g/mol. Its IUPAC name is 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
Molecular Properties
| Compound Name | 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one |
|---|---|
| PubChem CID | 158225189 |
| Molecular Formula | C139H124F4N10O20 |
| Molecular Weight | 2330.56 g/mol |
| Exact Mass | 2328.89 |
| IUPAC Name | 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one |
| SMILES | Cc1cccc(CCC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.Cc1cccc(CCC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.Cc1ccccc1CCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(CCc1ccc(C(F)(F)F)cc1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(CCc1ccccc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12 |
| InChI | InChI=1S/C28H23F3N2O4.3C28H26N2O4.C27H23FN2O4/c29-28(30,31)16-4-1-15(2-5-16)3-6-17(34)13-21-25-20-14-18(7-9-22(20)37-26(21)25)36-23-11-12-32-27-19(23)8-10-24(35)33-27;2*1-16-3-2-4-17(13-16)5-6-18(31)14-22-26-21-15-19(7-9-23(21)34-27(22)26)33-24-11-12-29-28-20(24)8-10-25(32)30-28;1-16-4-2-3-5-17(16)6-7-18(31)14-22-26-21-15-19(8-10-23(21)34-27(22)26)33-24-12-13-29-28-20(24)9-11-25(32)30-28;28-21-4-2-1-3-15(21)5-6-16(31)13-20-25-19-14-17(7-9-22(19)34-26(20)25)33-23-11-12-29-27-18(23)8-10-24(32)30-27/h1-2,4-5,7,9,11-12,14,21,25-26H,3,6,8,10,13H2,(H,32,33,35);2*2-4,7,9,11-13,15,22,26-27H,5-6,8,10,14H2,1H3,(H,29,30,32);2-5,8,10,12-13,15,22,26-27H,6-7,9,11,14H2,1H3,(H,29,30,32);1-4,7,9,11-12,14,20,25-26H,5-6,8,10,13H2,(H,29,30,32)/t21-,25-,26+;3*22-,26-,27+;20-,25-,26+/m00000/s1 |
| InChIKey | GDSBVLXGIIQOFR-MOWIZWEOSA-N |
| XLogP | 26.21 |
| TPSA | 387.60 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 173 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2330.56 |
| LogP ≤ 5 | 26.21 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 158225189) is 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1cccc(CCC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.Cc1cccc(CCC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.Cc1ccccc1CCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(CCc1ccc(C(F)(F)F)cc1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(CCc1ccccc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.
What is the InChIKey of 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is GDSBVLXGIIQOFR-MOWIZWEOSA-N. The full InChI is InChI=1S/C28H23F3N2O4.3C28H26N2O4.C27H23FN2O4/c29-28(30,31)16-4-1-15(2-5-16)3-6-17(34)13-21-25-20-14-18(7-9-22(20)37-26(21)25)36-23-11-12-32-27-19(23)8-10-24(35)33-27;2*1-16-3-2-4-17(13-16)5-6-18(31)14-22-26-21-15-19(7-9-23(21)34-27(22)26)33-24-11-12-29-28-20(24)8-10-25(32)30-28;1-16-4-2-3-5-17(16)6-7-18(31)14-22-26-21-15-19(8-10-23(21)34-27(22)26)33-24-12-13-29-28-20(24)9-11-25(32)30-28;28-21-4-2-1-3-15(21)5-6-16(31)13-20-25-19-14-17(7-9-22(19)34-26(20)25)33-23-11-12-29-27-18(23)8-10-24(32)30-27/h1-2,4-5,7,9,11-12,14,21,25-26H,3,6,8,10,13H2,(H,32,33,35);2*2-4,7,9,11-13,15,22,26-27H,5-6,8,10,14H2,1H3,(H,29,30,32);2-5,8,10,12-13,15,22,26-27H,6-7,9,11,14H2,1H3,(H,29,30,32);1-4,7,9,11-12,14,20,25-26H,5-6,8,10,13H2,(H,29,30,32)/t21-,25-,26+;3*22-,26-,27+;20-,25-,26+/m00000/s1.
What are the key properties of 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 2330.56 g/mol, XLogP of 26.21, 35 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(1S,1aR,6bR)-1-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 158225189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158225189 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.