5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C18H17FN4O — CID 24810000

IUPAC5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22)
InChIKeyMNUJNGGYFNZUNB-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.27
Rot. Bonds3

About 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 24810000) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID24810000
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22)
InChIKeyMNUJNGGYFNZUNB-UHFFFAOYSA-N
XLogP3.27
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enamide
CID 25263224
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 24810000) is 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is MNUJNGGYFNZUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22).
What are the key properties of 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 324.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 24810000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).