2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol

C147H168F7N13O25 — CID 157074461

IUPAC2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
SMILESCOc1ccc(F)c(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cc4)C[C@@H]3C2)c1.COc1ccc(F)c(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)c1F.COc1ccc(F)c(OC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)c1.COc1ccc(F)c(OC2C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)c1.Cc1cccc(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)c1F.Cc1cccc(OC2C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)c1F.Oc1ccc(C(O)CN2C[C@H]3CC(Oc4cnccn4)C[C@H]3C2)cc1
InChIInChI=1S/C22H26FNO4.C22H24FNO4.C21H22F2N2O4.C21H25FN2O4.C21H25FN2O3.C21H23FN2O3.C19H23N3O3/c2*1-27-18-6-7-20(23)22(10-18)28-19-8-15-11-24(12-16(15)9-19)13-21(26)14-2-4-17(25)5-3-14;1-28-19-5-3-16(22)21(20(19)23)29-15-6-12-9-25(10-13(12)7-15)11-18(27)17-4-2-14(26)8-24-17;1-27-16-3-4-18(22)21(8-16)28-17-6-13-10-24(11-14(13)7-17)12-20(26)19-5-2-15(25)9-23-19;2*1-13-3-2-4-20(21(13)22)27-17-7-14-10-24(11-15(14)8-17)12-19(26)18-6-5-16(25)9-23-18;23-16-3-1-13(2-4-16)18(24)12-22-10-14-7-17(8-15(14)11-22)25-19-9-20-5-6-21-19/h2-7,10,15-16,19,21,25-26H,8-9,11-13H2,1H3;2-7,10,15-16,19,25H,8-9,11-13H2,1H3;2-5,8,12-13,15,26H,6-7,9-11H2,1H3;2-5,8-9,13-14,17,20,25-26H,6-7,10-12H2,1H3;2-6,9,14-15,17,19,25-26H,7-8,10-12H2,1H3;2-6,9,14-15,17,25H,7-8,10-12H2,1H3;1-6,9,14-15,17-18,23-24H,7-8,10-12H2/t15-,16+,19?,21?;15-,16+,19?;12-,13+,15?;13-,14+,17?,20?;14-,15+,17?,19?;14-,15+,17?;14-,15+,17?,18?
InChIKeyACURXKHQEPUQAA-KGCGESNHSA-N
MW2650.01 g/mol
LogP20.95
Rot. Bonds39

About 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol

2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol (PubChem CID 157074461) has the molecular formula C147H168F7N13O25 and a molecular weight of 2650.01 g/mol. Its IUPAC name is 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
PubChem CID157074461
Molecular FormulaC147H168F7N13O25
Molecular Weight2650.01 g/mol
Exact Mass2648.22
IUPAC Name2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
SMILESCOc1ccc(F)c(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cc4)C[C@@H]3C2)c1.COc1ccc(F)c(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)c1F.COc1ccc(F)c(OC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)c1.COc1ccc(F)c(OC2C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)c1.Cc1cccc(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)c1F.Cc1cccc(OC2C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)c1F.Oc1ccc(C(O)CN2C[C@H]3CC(Oc4cnccn4)C[C@H]3C2)cc1
InChIInChI=1S/C22H26FNO4.C22H24FNO4.C21H22F2N2O4.C21H25FN2O4.C21H25FN2O3.C21H23FN2O3.C19H23N3O3/c2*1-27-18-6-7-20(23)22(10-18)28-19-8-15-11-24(12-16(15)9-19)13-21(26)14-2-4-17(25)5-3-14;1-28-19-5-3-16(22)21(20(19)23)29-15-6-12-9-25(10-13(12)7-15)11-18(27)17-4-2-14(26)8-24-17;1-27-16-3-4-18(22)21(8-16)28-17-6-13-10-24(11-14(13)7-17)12-20(26)19-5-2-15(25)9-23-19;2*1-13-3-2-4-20(21(13)22)27-17-7-14-10-24(11-15(14)8-17)12-19(26)18-6-5-16(25)9-23-18;23-16-3-1-13(2-4-16)18(24)12-22-10-14-7-17(8-15(14)11-22)25-19-9-20-5-6-21-19/h2-7,10,15-16,19,21,25-26H,8-9,11-13H2,1H3;2-7,10,15-16,19,25H,8-9,11-13H2,1H3;2-5,8,12-13,15,26H,6-7,9-11H2,1H3;2-5,8-9,13-14,17,20,25-26H,6-7,10-12H2,1H3;2-6,9,14-15,17,19,25-26H,7-8,10-12H2,1H3;2-6,9,14-15,17,25H,7-8,10-12H2,1H3;1-6,9,14-15,17-18,23-24H,7-8,10-12H2/t15-,16+,19?,21?;15-,16+,19?;12-,13+,15?;13-,14+,17?,20?;14-,15+,17?,19?;14-,15+,17?;14-,15+,17?,18?
InChIKeyACURXKHQEPUQAA-KGCGESNHSA-N
XLogP20.95
TPSA475.29 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002650.01
LogP ≤ 520.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol with MolForge

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Related Compounds

4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;bis(2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone);6-[2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;bis(2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone);6-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
CID 159554722
2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;bis(2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone);2-[(3aR,6aS)-5-(2-fluoro-4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;2-[(3aS,6aR)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(3-fluoro-4-hydroxyphenyl)ethanone;2-[(3aS,6aR)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone
CID 167676608
4-[2-[(3aR,6aS)-5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;2-[(3aS,6aR)-5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;6-[2-[(3aS,6aR)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
CID 159370691
4-[2-[(3aR,6aS)-5-(2,6-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2,6-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;6-[2-[(3aS,6aR)-5-(2-fluoro-6-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aR,6aS)-5-(2-fluoro-4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(2-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
CID 167601837
6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
CID 134454656
2-[(3aR,6aS)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone
CID 134450555
2-[(3aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone
CID 121247600
6-[2-[(3aR,6aS)-5-[(6-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
CID 134450620
4-[2-[(3aR,6aS)-5-(3,4-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
CID 118981739
4-[2-[(3aS,6aR)-5-(3,4-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aR,6aS)-5-(3,4-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;benzyl (3aR,6aS)-5-(3,4-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;methane
CID 161329045
6-[1-[(3aS,6aR)-5-(2,6-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
CID 134454729
(3aS)-2-[2-hydroxy-2-(5-hydroxy-2-pyridinyl)ethyl]-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 135375272

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol?
The IUPAC name of 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol (CID 157074461) is 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol.
What is the SMILES notation for 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol?
The canonical SMILES for 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol is COc1ccc(F)c(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cc4)C[C@@H]3C2)c1.COc1ccc(F)c(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)c1F.COc1ccc(F)c(OC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)c1.COc1ccc(F)c(OC2C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)c1.Cc1cccc(OC2C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)c1F.Cc1cccc(OC2C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)c1F.Oc1ccc(C(O)CN2C[C@H]3CC(Oc4cnccn4)C[C@H]3C2)cc1.
What is the InChIKey of 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol?
The InChIKey is ACURXKHQEPUQAA-KGCGESNHSA-N. The full InChI is InChI=1S/C22H26FNO4.C22H24FNO4.C21H22F2N2O4.C21H25FN2O4.C21H25FN2O3.C21H23FN2O3.C19H23N3O3/c2*1-27-18-6-7-20(23)22(10-18)28-19-8-15-11-24(12-16(15)9-19)13-21(26)14-2-4-17(25)5-3-14;1-28-19-5-3-16(22)21(20(19)23)29-15-6-12-9-25(10-13(12)7-15)11-18(27)17-4-2-14(26)8-24-17;1-27-16-3-4-18(22)21(8-16)28-17-6-13-10-24(11-14(13)7-17)12-20(26)19-5-2-15(25)9-23-19;2*1-13-3-2-4-20(21(13)22)27-17-7-14-10-24(11-15(14)8-17)12-19(26)18-6-5-16(25)9-23-18;23-16-3-1-13(2-4-16)18(24)12-22-10-14-7-17(8-15(14)11-22)25-19-9-20-5-6-21-19/h2-7,10,15-16,19,21,25-26H,8-9,11-13H2,1H3;2-7,10,15-16,19,25H,8-9,11-13H2,1H3;2-5,8,12-13,15,26H,6-7,9-11H2,1H3;2-5,8-9,13-14,17,20,25-26H,6-7,10-12H2,1H3;2-6,9,14-15,17,19,25-26H,7-8,10-12H2,1H3;2-6,9,14-15,17,25H,7-8,10-12H2,1H3;1-6,9,14-15,17-18,23-24H,7-8,10-12H2/t15-,16+,19?,21?;15-,16+,19?;12-,13+,15?;13-,14+,17?,20?;14-,15+,17?,19?;14-,15+,17?;14-,15+,17?,18?.
What are the key properties of 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol?
2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol has a molecular weight of 2650.01 g/mol, XLogP of 20.95, 39 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aS)-5-(2,6-difluoro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;6-[2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;4-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol is sourced from PubChem (CID 157074461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).