JFR

2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one

Created: 2022-01-18
Last modified:  2022-08-10

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count0
Bond Count80
Aromatic Bond Count22
2D diagram of JFR
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
Systematic Name (OpenEye OEToolkits)2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
FormulaC33 H34 F N3 O4
Molecular Weight555.639
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCCC4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)C6CCCC6)C)C(C)(C)O)C)F
Canonical SMILESCACTVS3.385 CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCCC4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)C6CCCC6)C)C(C)(C)O)C)F
InChIInChI1.03 InChI=1S/C33H34FN3O4/c1-18-12-22(34)13-19(2)29(18)40-27-11-10-21(33(3,4)39)14-23(27)25-17-37(5)32(38)24-15-28(41-30(24)25)26-16-35-31(36-26)20-8-6-7-9-20/h10-17,20,39H,6-9H2,1-5H3,(H,35,36)
InChIKeyInChI1.03 QSRRNUBIKNVQHO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 164607215