1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one

C13H17FN4O — CID 137457464

IUPAC1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one
SMILESCc1cc(-n2cc(F)cc(NC(C)C)c2=O)nn1C
InChIInChI=1S/C13H17FN4O/c1-8(2)15-11-6-10(14)7-18(13(11)19)12-5-9(3)17(4)16-12/h5-8,15H,1-4H3
InChIKeyPKALITQPIFJNIS-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.84
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one

1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457464) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457464
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one
SMILESCc1cc(-n2cc(F)cc(NC(C)C)c2=O)nn1C
InChIInChI=1S/C13H17FN4O/c1-8(2)15-11-6-10(14)7-18(13(11)19)12-5-9(3)17(4)16-12/h5-8,15H,1-4H3
InChIKeyPKALITQPIFJNIS-UHFFFAOYSA-N
XLogP1.84
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one (CID 137457464) is 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one is Cc1cc(-n2cc(F)cc(NC(C)C)c2=O)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is PKALITQPIFJNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-8(2)15-11-6-10(14)7-18(13(11)19)12-5-9(3)17(4)16-12/h5-8,15H,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one?
1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 264.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).