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

C12H15FN4O — CID 137449046

IUPAC5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cc(F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C12H15FN4O/c1-8(2)15-11-4-9(13)6-17(12(11)18)10-5-14-16(3)7-10/h4-8,15H,1-3H3
InChIKeyKHAYCQGXPKCYLJ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.53
Rot. Bonds3

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

5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137449046) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137449046
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cc(F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C12H15FN4O/c1-8(2)15-11-4-9(13)6-17(12(11)18)10-5-14-16(3)7-10/h4-8,15H,1-3H3
InChIKeyKHAYCQGXPKCYLJ-UHFFFAOYSA-N
XLogP1.53
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one (CID 137449046) is 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cc(F)cn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is KHAYCQGXPKCYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-8(2)15-11-4-9(13)6-17(12(11)18)10-5-14-16(3)7-10/h4-8,15H,1-3H3.
What are the key properties of 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one?
5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 250.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137449046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).