5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

C21H25FN4O — CID 158353226

IUPAC5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3cnc(CC(C)(C)C)cc3F)cn2)ccc1=O
InChIInChI=1S/C21H25FN4O/c1-5-8-25-14-17(6-7-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2,3)4/h6-7,9,11-14H,5,8,10H2,1-4H3
InChIKeyBCQOFKQOCIMMPU-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.23
Rot. Bonds5

About 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 158353226) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID158353226
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3cnc(CC(C)(C)C)cc3F)cn2)ccc1=O
InChIInChI=1S/C21H25FN4O/c1-5-8-25-14-17(6-7-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2,3)4/h6-7,9,11-14H,5,8,10H2,1-4H3
InChIKeyBCQOFKQOCIMMPU-UHFFFAOYSA-N
XLogP4.23
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 158353226) is 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3cnc(CC(C)(C)C)cc3F)cn2)ccc1=O.
What is the InChIKey of 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is BCQOFKQOCIMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-5-8-25-14-17(6-7-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2,3)4/h6-7,9,11-14H,5,8,10H2,1-4H3.
What are the key properties of 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 368.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 158353226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).