3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol

C17H20FN3O3 — CID 142794915

IUPAC3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol
SMILESNc1cnc(C2CC(c3ccc(OCC(O)CO)c(F)c3)C2)cn1
InChIInChI=1S/C17H20FN3O3/c18-14-5-10(1-2-16(14)24-9-13(23)8-22)11-3-12(4-11)15-6-21-17(19)7-20-15/h1-2,5-7,11-13,22-23H,3-4,8-9H2,(H2,19,21)
InChIKeyGGAUDKHWYMUGGT-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.59
Rot. Bonds6

About 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol

3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol (PubChem CID 142794915) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol
PubChem CID142794915
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol
SMILESNc1cnc(C2CC(c3ccc(OCC(O)CO)c(F)c3)C2)cn1
InChIInChI=1S/C17H20FN3O3/c18-14-5-10(1-2-16(14)24-9-13(23)8-22)11-3-12(4-11)15-6-21-17(19)7-20-15/h1-2,5-7,11-13,22-23H,3-4,8-9H2,(H2,19,21)
InChIKeyGGAUDKHWYMUGGT-UHFFFAOYSA-N
XLogP1.59
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-Cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine
CID 90310685
1-(3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy)-3-(isobutylamino)-propan-2-ol
CID 90310832
3-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]propane-1,2-diol
CID 90310843
2-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol
CID 90310858
2-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenoxy]ethanol
CID 90313622
(2R)-2-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol
CID 90313815
(2S)-2-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol
CID 90314163
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(methylamino)propan-2-ol
CID 90310580
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-piperidin-1-ylpropan-2-ol
CID 90310628
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 90310710
1-[3-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyrrolidin-3-ol
CID 90310745
1-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 90310904

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol (CID 142794915) is 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol is Nc1cnc(C2CC(c3ccc(OCC(O)CO)c(F)c3)C2)cn1.
What is the InChIKey of 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol?
The InChIKey is GGAUDKHWYMUGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-14-5-10(1-2-16(14)24-9-13(23)8-22)11-3-12(4-11)15-6-21-17(19)7-20-15/h1-2,5-7,11-13,22-23H,3-4,8-9H2,(H2,19,21).
What are the key properties of 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol?
3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol has a molecular weight of 333.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol is sourced from PubChem (CID 142794915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).