5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one

C10H11FN4O — CID 139401779

IUPAC5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCNc1cc(F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C10H11FN4O/c1-12-9-3-7(11)5-15(10(9)16)8-4-13-14(2)6-8/h3-6,12H,1-2H3
InChIKeyIIYZLAHTPQRMIV-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.75
Rot. Bonds2

About 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one

5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 139401779) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID139401779
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCNc1cc(F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C10H11FN4O/c1-12-9-3-7(11)5-15(10(9)16)8-4-13-14(2)6-8/h3-6,12H,1-2H3
InChIKeyIIYZLAHTPQRMIV-UHFFFAOYSA-N
XLogP0.75
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one (CID 139401779) is 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one is CNc1cc(F)cn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is IIYZLAHTPQRMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-12-9-3-7(11)5-15(10(9)16)8-4-13-14(2)6-8/h3-6,12H,1-2H3.
What are the key properties of 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one?
5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 222.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 139401779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).