1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one

C18H19FN4O3S — CID 166310919

IUPAC1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one
SMILESCC(C)c1cn(Cc2ccnc(-n3cc(S(C)(=O)=O)cn3)c2F)ccc1=O
InChIInChI=1S/C18H19FN4O3S/c1-12(2)15-11-22(7-5-16(15)24)9-13-4-6-20-18(17(13)19)23-10-14(8-21-23)27(3,25)26/h4-8,10-12H,9H2,1-3H3
InChIKeyHCUDRNUXGBRTPH-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.14
Rot. Bonds5

About 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one

1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one (PubChem CID 166310919) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one
PubChem CID166310919
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one
SMILESCC(C)c1cn(Cc2ccnc(-n3cc(S(C)(=O)=O)cn3)c2F)ccc1=O
InChIInChI=1S/C18H19FN4O3S/c1-12(2)15-11-22(7-5-16(15)24)9-13-4-6-20-18(17(13)19)23-10-14(8-21-23)27(3,25)26/h4-8,10-12H,9H2,1-3H3
InChIKeyHCUDRNUXGBRTPH-UHFFFAOYSA-N
XLogP2.14
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one?
The IUPAC name of 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one (CID 166310919) is 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one.
What is the SMILES notation for 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one?
The canonical SMILES for 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one is CC(C)c1cn(Cc2ccnc(-n3cc(S(C)(=O)=O)cn3)c2F)ccc1=O.
What is the InChIKey of 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one?
The InChIKey is HCUDRNUXGBRTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-12(2)15-11-22(7-5-16(15)24)9-13-4-6-20-18(17(13)19)23-10-14(8-21-23)27(3,25)26/h4-8,10-12H,9H2,1-3H3.
What are the key properties of 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one?
1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one has a molecular weight of 390.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one is sourced from PubChem (CID 166310919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).