(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
C133H136F6N20O16 — CID 161157163
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
SMILESCOCC1(c2ccc(F)cc2)ON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC3(C(=O)O)c2cc(C)c(F)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C(C)=O)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2cc(C)c(F)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(COC(C)C)c2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H34N4O3.C26H24F2N4O4.C26H26F2N4O3.C26H27FN4O3.C26H25FN4O3/c1-20(2)35-18-29(25-11-8-21(3)9-12-25)33-14-6-7-24(28(33)31-36-29)15-23-10-13-26(27(16-23)34-5)32-17-22(4)30-19-32;1-15-9-19(12-20(27)23(15)28)26(25(33)34)32-8-4-5-18(24(32)30-36-26)10-17-6-7-21(22(11-17)35-3)31-13-16(2)29-14-31;1-16-9-20(12-21(27)24(16)28)26(14-33)32-8-4-5-19(25(32)30-35-26)10-18-6-7-22(23(11-18)34-3)31-13-17(2)29-15-31;1-18-15-30(17-28-18)23-11-6-19(14-24(23)33-3)13-20-5-4-12-31-25(20)29-34-26(31,16-32-2)21-7-9-22(27)10-8-21;1-17-15-30(16-28-17)23-11-6-19(14-24(23)33-3)13-20-5-4-12-31-25(20)29-34-26(31,18(2)32)21-7-9-22(27)10-8-21/h8-13,15-17,19-20H,6-7,14,18H2,1-5H3;6-7,9-14H,4-5,8H2,1-3H3,(H,33,34);6-7,9-13,15,33H,4-5,8,14H2,1-3H3;6-11,13-15,17H,4-5,12,16H2,1-3H3;6-11,13-16H,4-5,12H2,1-3H3/b24-15+;18-10+;19-10+;2*20-13+
InChIKeyUPLGETOMMJHVQC-KQWSIQTMSA-N
MW2384.66 g/mol
LogP23.82
Rot. Bonds28
About (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine (PubChem CID 161157163) has the molecular formula C133H136F6N20O16 and a molecular weight of 2384.66 g/mol. Its IUPAC name is (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine.
Molecular Properties
| Compound Name | (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine |
|---|---|
| PubChem CID | 161157163 |
| Molecular Formula | C133H136F6N20O16 |
| Molecular Weight | 2384.66 g/mol |
| Exact Mass | 2383.03 |
| IUPAC Name | (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine |
| SMILES | COCC1(c2ccc(F)cc2)ON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC3(C(=O)O)c2cc(C)c(F)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C(C)=O)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2cc(C)c(F)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(COC(C)C)c2ccc(C)cc2)ccc1-n1cnc(C)c1 |
| InChI | InChI=1S/C29H34N4O3.C26H24F2N4O4.C26H26F2N4O3.C26H27FN4O3.C26H25FN4O3/c1-20(2)35-18-29(25-11-8-21(3)9-12-25)33-14-6-7-24(28(33)31-36-29)15-23-10-13-26(27(16-23)34-5)32-17-22(4)30-19-32;1-15-9-19(12-20(27)23(15)28)26(25(33)34)32-8-4-5-18(24(32)30-36-26)10-17-6-7-21(22(11-17)35-3)31-13-16(2)29-14-31;1-16-9-20(12-21(27)24(16)28)26(14-33)32-8-4-5-19(25(32)30-35-26)10-18-6-7-22(23(11-18)34-3)31-13-17(2)29-15-31;1-18-15-30(17-28-18)23-11-6-19(14-24(23)33-3)13-20-5-4-12-31-25(20)29-34-26(31,16-32-2)21-7-9-22(27)10-8-21;1-17-15-30(16-28-17)23-11-6-19(14-24(23)33-3)13-20-5-4-12-31-25(20)29-34-26(31,18(2)32)21-7-9-22(27)10-8-21/h8-13,15-17,19-20H,6-7,14,18H2,1-5H3;6-7,9-14H,4-5,8H2,1-3H3,(H,33,34);6-7,9-13,15,33H,4-5,8,14H2,1-3H3;6-11,13-15,17H,4-5,12,16H2,1-3H3;6-11,13-16H,4-5,12H2,1-3H3/b24-15+;18-10+;19-10+;2*20-13+ |
| InChIKey | UPLGETOMMJHVQC-KQWSIQTMSA-N |
| XLogP | 23.82 |
| TPSA | 352.46 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 175 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2384.66 |
| LogP ≤ 5 | 23.82 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 35 |
Frequently Asked Questions
What is the IUPAC name of (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?
The IUPAC name of (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine (CID 161157163) is (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine.
What is the SMILES notation for (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?
The canonical SMILES for (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine is COCC1(c2ccc(F)cc2)ON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC3(C(=O)O)c2cc(C)c(F)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C(C)=O)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2cc(C)c(F)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(COC(C)C)c2ccc(C)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?
The InChIKey is UPLGETOMMJHVQC-KQWSIQTMSA-N. The full InChI is InChI=1S/C29H34N4O3.C26H24F2N4O4.C26H26F2N4O3.C26H27FN4O3.C26H25FN4O3/c1-20(2)35-18-29(25-11-8-21(3)9-12-25)33-14-6-7-24(28(33)31-36-29)15-23-10-13-26(27(16-23)34-5)32-17-22(4)30-19-32;1-15-9-19(12-20(27)23(15)28)26(25(33)34)32-8-4-5-18(24(32)30-36-26)10-17-6-7-21(22(11-17)35-3)31-13-16(2)29-14-31;1-16-9-20(12-21(27)24(16)28)26(14-33)32-8-4-5-19(25(32)30-35-26)10-18-6-7-22(23(11-18)34-3)31-13-17(2)29-15-31;1-18-15-30(17-28-18)23-11-6-19(14-24(23)33-3)13-20-5-4-12-31-25(20)29-34-26(31,16-32-2)21-7-9-22(27)10-8-21;1-17-15-30(16-28-17)23-11-6-19(14-24(23)33-3)13-20-5-4-12-31-25(20)29-34-26(31,18(2)32)21-7-9-22(27)10-8-21/h8-13,15-17,19-20H,6-7,14,18H2,1-5H3;6-7,9-14H,4-5,8H2,1-3H3,(H,33,34);6-7,9-13,15,33H,4-5,8,14H2,1-3H3;6-11,13-15,17H,4-5,12,16H2,1-3H3;6-11,13-16H,4-5,12H2,1-3H3/b24-15+;18-10+;19-10+;2*20-13+.
What are the key properties of (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?
(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine has a molecular weight of 2384.66 g/mol, XLogP of 23.82, 28 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylic acid;[(8E)-3-(3,4-difluoro-5-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;1-[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone;(8E)-3-(4-fluorophenyl)-3-(methoxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine is sourced from PubChem (CID 161157163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161157163 — identifiers, structure, computed properties (public domain)
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