(5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol

C104H108F28N8O18S — CID 161179606

IUPAC(5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol
SMILESCS(=O)(=O)c1cnc(OC2CC(F)C2)c2c1[C@H](O)[C@H](F)[C@@H]2F.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)C(F)(F)C2.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)[C@H](F)C2.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)[C@H](F)[C@@H]2F.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)C2.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)[C@H](F)C2
InChIInChI=1S/C13H12F5NO2.3C13H13F4NO2.C13H14F3NO4S.2C13H14F3NO2.C13H15F2NO2/c1-5-4-19-11(21-6-2-12(15,16)3-6)8-7(5)10(20)13(17,18)9(8)14;1-6-5-18-11(20-7-2-12(14,15)3-7)8-4-13(16,17)10(19)9(6)8;1-5-4-18-12(20-6-2-13(16,17)3-6)8-7(5)11(19)10(15)9(8)14;1-5-4-18-12(20-7-2-6(14)3-7)9-8(5)11(19)13(16,17)10(9)15;1-22(19,20)7-4-17-13(21-6-2-5(14)3-6)9-8(7)12(18)11(16)10(9)15;1-6-5-17-12(19-7-3-13(15,16)4-7)8-2-9(14)11(18)10(6)8;1-6-5-17-12(19-8-2-7(14)3-8)9-4-13(15,16)11(18)10(6)9;1-6-5-16-13(18-8-2-7(14)3-8)9-4-10(15)12(17)11(6)9/h4,6,9-10,20H,2-3H2,1H3;5,7,10,19H,2-4H2,1H3;4,6,9-11,19H,2-3H2,1H3;4,6-7,10-11,19H,2-3H2,1H3;4-6,10-12,18H,2-3H2,1H3;5,7,9,11,18H,2-4H2,1H3;5,7-8,11,18H,2-4H2,1H3;5,7-8,10,12,17H,2-4H2,1H3/t9-,10+;10-;9-,10-,11+;6?,7?,10-,11+;5?,6?,10-,11-,12+;9-,11-;7?,8?,11-;7?,8?,10-,12-/m10111101/s1
InChIKeyUSGQDNFCMZNWAO-JHRNMIRQSA-N
MW2322.06 g/mol
LogP20.92
Rot. Bonds17

About (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol

(5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol (PubChem CID 161179606) has the molecular formula C104H108F28N8O18S and a molecular weight of 2322.06 g/mol. Its IUPAC name is (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol.

Molecular Properties

Compound Name(5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol
PubChem CID161179606
Molecular FormulaC104H108F28N8O18S
Molecular Weight2322.06 g/mol
Exact Mass2320.71
IUPAC Name(5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol
SMILESCS(=O)(=O)c1cnc(OC2CC(F)C2)c2c1[C@H](O)[C@H](F)[C@@H]2F.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)C(F)(F)C2.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)[C@H](F)C2.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)[C@H](F)[C@@H]2F.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)C2.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)[C@H](F)C2
InChIInChI=1S/C13H12F5NO2.3C13H13F4NO2.C13H14F3NO4S.2C13H14F3NO2.C13H15F2NO2/c1-5-4-19-11(21-6-2-12(15,16)3-6)8-7(5)10(20)13(17,18)9(8)14;1-6-5-18-11(20-7-2-12(14,15)3-7)8-4-13(16,17)10(19)9(6)8;1-5-4-18-12(20-6-2-13(16,17)3-6)8-7(5)11(19)10(15)9(8)14;1-5-4-18-12(20-7-2-6(14)3-7)9-8(5)11(19)13(16,17)10(9)15;1-22(19,20)7-4-17-13(21-6-2-5(14)3-6)9-8(7)12(18)11(16)10(9)15;1-6-5-17-12(19-7-3-13(15,16)4-7)8-2-9(14)11(18)10(6)8;1-6-5-17-12(19-8-2-7(14)3-8)9-4-13(15,16)11(18)10(6)9;1-6-5-16-13(18-8-2-7(14)3-8)9-4-10(15)12(17)11(6)9/h4,6,9-10,20H,2-3H2,1H3;5,7,10,19H,2-4H2,1H3;4,6,9-11,19H,2-3H2,1H3;4,6-7,10-11,19H,2-3H2,1H3;4-6,10-12,18H,2-3H2,1H3;5,7,9,11,18H,2-4H2,1H3;5,7-8,11,18H,2-4H2,1H3;5,7-8,10,12,17H,2-4H2,1H3/t9-,10+;10-;9-,10-,11+;6?,7?,10-,11+;5?,6?,10-,11-,12+;9-,11-;7?,8?,11-;7?,8?,10-,12-/m10111101/s1
InChIKeyUSGQDNFCMZNWAO-JHRNMIRQSA-N
XLogP20.92
TPSA372.94 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002322.06
LogP ≤ 520.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol?
The IUPAC name of (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol (CID 161179606) is (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol.
What is the SMILES notation for (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol?
The canonical SMILES for (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol is CS(=O)(=O)c1cnc(OC2CC(F)C2)c2c1[C@H](O)[C@H](F)[C@@H]2F.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)C(F)(F)C2.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)[C@H](F)C2.Cc1cnc(OC2CC(F)(F)C2)c2c1[C@H](O)[C@H](F)[C@@H]2F.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)C2.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F.Cc1cnc(OC2CC(F)C2)c2c1[C@H](O)[C@H](F)C2.
What is the InChIKey of (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol?
The InChIKey is USGQDNFCMZNWAO-JHRNMIRQSA-N. The full InChI is InChI=1S/C13H12F5NO2.3C13H13F4NO2.C13H14F3NO4S.2C13H14F3NO2.C13H15F2NO2/c1-5-4-19-11(21-6-2-12(15,16)3-6)8-7(5)10(20)13(17,18)9(8)14;1-6-5-18-11(20-7-2-12(14,15)3-7)8-4-13(16,17)10(19)9(6)8;1-5-4-18-12(20-6-2-13(16,17)3-6)8-7(5)11(19)10(15)9(8)14;1-5-4-18-12(20-7-2-6(14)3-7)9-8(5)11(19)13(16,17)10(9)15;1-22(19,20)7-4-17-13(21-6-2-5(14)3-6)9-8(7)12(18)11(16)10(9)15;1-6-5-17-12(19-7-3-13(15,16)4-7)8-2-9(14)11(18)10(6)8;1-6-5-17-12(19-8-2-7(14)3-8)9-4-13(15,16)11(18)10(6)9;1-6-5-16-13(18-8-2-7(14)3-8)9-4-10(15)12(17)11(6)9/h4,6,9-10,20H,2-3H2,1H3;5,7,10,19H,2-4H2,1H3;4,6,9-11,19H,2-3H2,1H3;4,6-7,10-11,19H,2-3H2,1H3;4-6,10-12,18H,2-3H2,1H3;5,7,9,11,18H,2-4H2,1H3;5,7-8,11,18H,2-4H2,1H3;5,7-8,10,12,17H,2-4H2,1H3/t9-,10+;10-;9-,10-,11+;6?,7?,10-,11+;5?,6?,10-,11-,12+;9-,11-;7?,8?,11-;7?,8?,10-,12-/m10111101/s1.
What are the key properties of (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol?
(5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol has a molecular weight of 2322.06 g/mol, XLogP of 20.92, 17 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol is sourced from PubChem (CID 161179606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).