(4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one

C189H189F24N11O35 — CID 167599670

IUPAC(4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one
SMILESCOc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1ccc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)cc1OC
InChIInChI=1S/5C32H32F4N2O6.C29H29F4NO5/c5*1-17-13-19(5-7-21(17)33)27-28-20(30(2,3)16-43-28)15-26(38-27)31(41,32(34,35)36)11-9-22(39)18-6-8-23(25(14-18)42-4)44-24-10-12-37-29(24)40;1-16-12-18(6-8-20(16)30)25-26-19(27(2,3)15-39-26)14-24(34-25)28(36,29(31,32)33)11-10-21(35)17-7-9-22(37-4)23(13-17)38-5/h5*5-8,13-15,24,41H,9-12,16H2,1-4H3,(H,37,40);6-9,12-14,36H,10-11,15H2,1-5H3/t2*24-,31+;2*24-,31-;;28-/m1010.1/s1
InChIKeyJOAXNXXYHDILSN-BMHGIPSDSA-N
MW3630.58 g/mol
LogP34.07
Rot. Bonds53

About (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one

(4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one (PubChem CID 167599670) has the molecular formula C189H189F24N11O35 and a molecular weight of 3630.58 g/mol. Its IUPAC name is (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one
PubChem CID167599670
Molecular FormulaC189H189F24N11O35
Molecular Weight3630.58 g/mol
Exact Mass3628.30
IUPAC Name(4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one
SMILESCOc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1ccc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)cc1OC
InChIInChI=1S/5C32H32F4N2O6.C29H29F4NO5/c5*1-17-13-19(5-7-21(17)33)27-28-20(30(2,3)16-43-28)15-26(38-27)31(41,32(34,35)36)11-9-22(39)18-6-8-23(25(14-18)42-4)44-24-10-12-37-29(24)40;1-16-12-18(6-8-20(16)30)25-26-19(27(2,3)15-39-26)14-24(34-25)28(36,29(31,32)33)11-10-21(35)17-7-9-22(37-4)23(13-17)38-5/h5*5-8,13-15,24,41H,9-12,16H2,1-4H3,(H,37,40);6-9,12-14,36H,10-11,15H2,1-5H3/t2*24-,31+;2*24-,31-;;28-/m1010.1/s1
InChIKeyJOAXNXXYHDILSN-BMHGIPSDSA-N
XLogP34.07
TPSA612.78 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds53
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003630.58
LogP ≤ 534.07
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one (CID 167599670) is (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one is COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@@H]1CCNC1=O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1ccc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)cc1OC.
What is the InChIKey of (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one?
The InChIKey is JOAXNXXYHDILSN-BMHGIPSDSA-N. The full InChI is InChI=1S/5C32H32F4N2O6.C29H29F4NO5/c5*1-17-13-19(5-7-21(17)33)27-28-20(30(2,3)16-43-28)15-26(38-27)31(41,32(34,35)36)11-9-22(39)18-6-8-23(25(14-18)42-4)44-24-10-12-37-29(24)40;1-16-12-18(6-8-20(16)30)25-26-19(27(2,3)15-39-26)14-24(34-25)28(36,29(31,32)33)11-10-21(35)17-7-9-22(37-4)23(13-17)38-5/h5*5-8,13-15,24,41H,9-12,16H2,1-4H3,(H,37,40);6-9,12-14,36H,10-11,15H2,1-5H3/t2*24-,31+;2*24-,31-;;28-/m1010.1/s1.
What are the key properties of (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one?
(4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one has a molecular weight of 3630.58 g/mol, XLogP of 34.07, 53 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,4-dimethoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3R)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one;(3S)-3-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]phenoxy]pyrrolidin-2-one is sourced from PubChem (CID 167599670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).