3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C134H112F40N40O8 — CID 157078309

IUPAC3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)c1nnc2ccc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)nn12.CC(F)c1nnc2ccc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)nn12.C[C@@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F.C[C@@H](Oc1ncc(-c2cn3c([C@@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@@H](Oc1ncc(-c2cn3c([C@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c([C@@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c([C@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/2C18H16F5N5O.4C17H14F5N5O.2C15H12F5N5O/c2*1-9(18(21,22)23)29-16-12(19)3-10(6-25-16)13-8-28-14(7-24-13)26-27-15(28)11-4-17(2,20)5-11;4*1-8(17(20,21)22)28-15-11(18)3-9(5-24-15)12-7-27-13(6-23-12)25-26-14(27)10-4-16(10,2)19;2*1-7(16)13-23-22-12-4-3-11(24-25(12)13)9-5-10(17)14(21-6-9)26-8(2)15(18,19)20/h2*3,6-9,11H,4-5H2,1-2H3;4*3,5-8,10H,4H2,1-2H3;2*3-8H,1-2H3/t2*9-,11?,17?;2*8-,10+,16?;2*8-,10-,16?;2*7?,8-/m10101010/s1
InChIKeyADFUGXZUFZCCHM-GHIYSOHNSA-N
MW3170.56 g/mol
LogP31.37
Rot. Bonds32

About 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 157078309) has the molecular formula C134H112F40N40O8 and a molecular weight of 3170.56 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID157078309
Molecular FormulaC134H112F40N40O8
Molecular Weight3170.56 g/mol
Exact Mass3168.89
IUPAC Name3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)c1nnc2ccc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)nn12.CC(F)c1nnc2ccc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)nn12.C[C@@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F.C[C@@H](Oc1ncc(-c2cn3c([C@@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@@H](Oc1ncc(-c2cn3c([C@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c([C@@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c([C@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/2C18H16F5N5O.4C17H14F5N5O.2C15H12F5N5O/c2*1-9(18(21,22)23)29-16-12(19)3-10(6-25-16)13-8-28-14(7-24-13)26-27-15(28)11-4-17(2,20)5-11;4*1-8(17(20,21)22)28-15-11(18)3-9(5-24-15)12-7-27-13(6-23-12)25-26-14(27)10-4-16(10,2)19;2*1-7(16)13-23-22-12-4-3-11(24-25(12)13)9-5-10(17)14(21-6-9)26-8(2)15(18,19)20/h2*3,6-9,11H,4-5H2,1-2H3;4*3,5-8,10H,4H2,1-2H3;2*3-8H,1-2H3/t2*9-,11?,17?;2*8-,10+,16?;2*8-,10-,16?;2*7?,8-/m10101010/s1
InChIKeyADFUGXZUFZCCHM-GHIYSOHNSA-N
XLogP31.37
TPSA521.60 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds32
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003170.56
LogP ≤ 531.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 157078309) is 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC(F)c1nnc2ccc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)nn12.CC(F)c1nnc2ccc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)nn12.C[C@@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F.C[C@@H](Oc1ncc(-c2cn3c([C@@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@@H](Oc1ncc(-c2cn3c([C@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c([C@@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c([C@H]4CC4(C)F)nnc3cn2)cc1F)C(F)(F)F.
What is the InChIKey of 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ADFUGXZUFZCCHM-GHIYSOHNSA-N. The full InChI is InChI=1S/2C18H16F5N5O.4C17H14F5N5O.2C15H12F5N5O/c2*1-9(18(21,22)23)29-16-12(19)3-10(6-25-16)13-8-28-14(7-24-13)26-27-15(28)11-4-17(2,20)5-11;4*1-8(17(20,21)22)28-15-11(18)3-9(5-24-15)12-7-27-13(6-23-12)25-26-14(27)10-4-16(10,2)19;2*1-7(16)13-23-22-12-4-3-11(24-25(12)13)9-5-10(17)14(21-6-9)26-8(2)15(18,19)20/h2*3,6-9,11H,4-5H2,1-2H3;4*3,5-8,10H,4H2,1-2H3;2*3-8H,1-2H3/t2*9-,11?,17?;2*8-,10+,16?;2*8-,10-,16?;2*7?,8-/m10101010/s1.
What are the key properties of 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3170.56 g/mol, XLogP of 31.37, 32 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 157078309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).