1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one

C22H23FN4O3 — CID 90310638

IUPAC1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ccccc3=O)c2F)cn1
InChIInChI=1S/C22H23FN4O3/c23-21-17(18-10-26-19(24)11-25-18)8-7-16(14-4-3-5-14)22(21)30-13-15(28)12-27-9-2-1-6-20(27)29/h1-2,6-11,14-15,28H,3-5,12-13H2,(H2,24,26)
InChIKeyVRPCYMBDJYJEIL-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.73
Rot. Bonds7

About 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one

1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one (PubChem CID 90310638) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one
PubChem CID90310638
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ccccc3=O)c2F)cn1
InChIInChI=1S/C22H23FN4O3/c23-21-17(18-10-26-19(24)11-25-18)8-7-16(14-4-3-5-14)22(21)30-13-15(28)12-27-9-2-1-6-20(27)29/h1-2,6-11,14-15,28H,3-5,12-13H2,(H2,24,26)
InChIKeyVRPCYMBDJYJEIL-UHFFFAOYSA-N
XLogP2.73
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one?
The IUPAC name of 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one (CID 90310638) is 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one is Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ccccc3=O)c2F)cn1.
What is the InChIKey of 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one?
The InChIKey is VRPCYMBDJYJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-21-17(18-10-26-19(24)11-25-18)8-7-16(14-4-3-5-14)22(21)30-13-15(28)12-27-9-2-1-6-20(27)29/h1-2,6-11,14-15,28H,3-5,12-13H2,(H2,24,26).
What are the key properties of 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one?
1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one has a molecular weight of 410.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-hydroxypropyl]pyridin-2-one is sourced from PubChem (CID 90310638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).