6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

C17H12FN5O2 — CID 160902242

IUPAC6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESCc1ccc(-c2cc(Cc3nc4nonc4[nH]c3=O)ccc2F)cn1
InChIInChI=1S/C17H12FN5O2/c1-9-2-4-11(8-19-9)12-6-10(3-5-13(12)18)7-14-17(24)21-16-15(20-14)22-25-23-16/h2-6,8H,7H2,1H3,(H,21,23,24)
InChIKeyYAQNXYPWMZUDRQ-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.41
Rot. Bonds3

About 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (PubChem CID 160902242) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
PubChem CID160902242
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESCc1ccc(-c2cc(Cc3nc4nonc4[nH]c3=O)ccc2F)cn1
InChIInChI=1S/C17H12FN5O2/c1-9-2-4-11(8-19-9)12-6-10(3-5-13(12)18)7-14-17(24)21-16-15(20-14)22-25-23-16/h2-6,8H,7H2,1H3,(H,21,23,24)
InChIKeyYAQNXYPWMZUDRQ-UHFFFAOYSA-N
XLogP2.41
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (CID 160902242) is 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is Cc1ccc(-c2cc(Cc3nc4nonc4[nH]c3=O)ccc2F)cn1.
What is the InChIKey of 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The InChIKey is YAQNXYPWMZUDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-9-2-4-11(8-19-9)12-6-10(3-5-13(12)18)7-14-17(24)21-16-15(20-14)22-25-23-16/h2-6,8H,7H2,1H3,(H,21,23,24).
What are the key properties of 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one has a molecular weight of 337.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-fluoro-3-(6-methyl-3-pyridinyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 160902242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).