1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C13H13F2N3O2 — CID 128555711

IUPAC1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESO=C1CN(C(=O)CC2CC(F)(F)C2)c2ccncc2N1
InChIInChI=1S/C13H13F2N3O2/c14-13(15)4-8(5-13)3-12(20)18-7-11(19)17-9-6-16-2-1-10(9)18/h1-2,6,8H,3-5,7H2,(H,17,19)
InChIKeyXKWVBOPZSPABOO-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.80
Rot. Bonds2

About 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 128555711) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID128555711
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESO=C1CN(C(=O)CC2CC(F)(F)C2)c2ccncc2N1
InChIInChI=1S/C13H13F2N3O2/c14-13(15)4-8(5-13)3-12(20)18-7-11(19)17-9-6-16-2-1-10(9)18/h1-2,6,8H,3-5,7H2,(H,17,19)
InChIKeyXKWVBOPZSPABOO-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dihydropyrido[3,4-b]pyrazine-2,3-dione
CID 10797083
1H,2H,3H,4H-pyrido(3,4-b)pyrazin-3-one
CID 18645755
N-[6-(2-aminoanilino)-6-oxohexyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 60207647
N-(3-amino-4-pyridinyl)cyclopentanecarboxamide
CID 57402383
(2S)-2-methyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
CID 28323449
(3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one
CID 82415154
(2R)-2-methyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
CID 28323451
1-[(2R)-2-acetamido-3-methylbutanoyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 32027338
1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 38587431
2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide
CID 75441423
N1-(2,5-difluorophenyl)-N2-((1-(pyridin-4-yl)piperidin-4-yl)methyl)oxalamide
CID 86263493
(3R)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one
CID 96224659

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 128555711) is 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is O=C1CN(C(=O)CC2CC(F)(F)C2)c2ccncc2N1.
What is the InChIKey of 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is XKWVBOPZSPABOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c14-13(15)4-8(5-13)3-12(20)18-7-11(19)17-9-6-16-2-1-10(9)18/h1-2,6,8H,3-5,7H2,(H,17,19).
What are the key properties of 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 281.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 128555711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).