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

C18H16F5N5O — CID 157078316

IUPAC3-(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
SMILESC[C@@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/C18H16F5N5O/c1-9(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/h3,6-9,11H,4-5H2,1-2H3/t9-,11?,17?/m1/s1
InChIKeyLCOAKQOKIGEJQO-WVTWZTMVSA-N
MW413.35 g/mol
LogP4.26
Rot. Bonds4

About 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-(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 (PubChem CID 157078316) has the molecular formula C18H16F5N5O and a molecular weight of 413.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID157078316
Molecular FormulaC18H16F5N5O
Molecular Weight413.35 g/mol
Exact Mass413.13
IUPAC Name3-(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
SMILESC[C@@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/C18H16F5N5O/c1-9(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/h3,6-9,11H,4-5H2,1-2H3/t9-,11?,17?/m1/s1
InChIKeyLCOAKQOKIGEJQO-WVTWZTMVSA-N
XLogP4.26
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370896
3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370827
3-(ethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 146753106
acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite
CID 159286635
6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370773
3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 155338038
6-[6-(3,3-difluorobutan-2-yloxy)-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2,2-difluoro-3-methylpentane;6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;sulfane
CID 142362471
3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 155338323
3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155364632
3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370720
3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide
CID 155338013
6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 167615181

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 157078316) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](Oc1ncc(-c2cn3c(C4CC(C)(F)C4)nnc3cn2)cc1F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is LCOAKQOKIGEJQO-WVTWZTMVSA-N. The full InChI is InChI=1S/C18H16F5N5O/c1-9(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/h3,6-9,11H,4-5H2,1-2H3/t9-,11?,17?/m1/s1.
What are the key properties of 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-(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 has a molecular weight of 413.35 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157078316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).