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

C21H25FN4O — CID 157196214

IUPAC5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2ccc(-c3cnc(CC(C)(C)C)cc3F)n2)ccc1=O
InChIInChI=1S/C21H25FN4O/c1-5-9-25-14-16(6-7-20(25)27)26-10-8-19(24-26)17-13-23-15(11-18(17)22)12-21(2,3)4/h6-8,10-11,13-14H,5,9,12H2,1-4H3
InChIKeyRXYKZSOKYYALLR-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.23
Rot. Bonds5

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

5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 157196214) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID157196214
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2ccc(-c3cnc(CC(C)(C)C)cc3F)n2)ccc1=O
InChIInChI=1S/C21H25FN4O/c1-5-9-25-14-16(6-7-20(25)27)26-10-8-19(24-26)17-13-23-15(11-18(17)22)12-21(2,3)4/h6-8,10-11,13-14H,5,9,12H2,1-4H3
InChIKeyRXYKZSOKYYALLR-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-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 157196214) is 5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2ccc(-c3cnc(CC(C)(C)C)cc3F)n2)ccc1=O.
What is the InChIKey of 5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is RXYKZSOKYYALLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-5-9-25-14-16(6-7-20(25)27)26-10-8-19(24-26)17-13-23-15(11-18(17)22)12-21(2,3)4/h6-8,10-11,13-14H,5,9,12H2,1-4H3.
What are the key properties of 5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[3-[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-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 157196214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).