4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one

C21H20FN3O2 — CID 129254368

IUPAC4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one
SMILESCC(C)n1nccc1-c1ncccc1COc1ccc(F)c2c1C(=O)CC2
InChIInChI=1S/C21H20FN3O2/c1-13(2)25-17(9-11-24-25)21-14(4-3-10-23-21)12-27-19-8-6-16(22)15-5-7-18(26)20(15)19/h3-4,6,8-11,13H,5,7,12H2,1-2H3
InChIKeyYELJUZQAVUTZHP-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.37
Rot. Bonds5

About 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one

4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one (PubChem CID 129254368) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one
PubChem CID129254368
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one
SMILESCC(C)n1nccc1-c1ncccc1COc1ccc(F)c2c1C(=O)CC2
InChIInChI=1S/C21H20FN3O2/c1-13(2)25-17(9-11-24-25)21-14(4-3-10-23-21)12-27-19-8-6-16(22)15-5-7-18(26)20(15)19/h3-4,6,8-11,13H,5,7,12H2,1-2H3
InChIKeyYELJUZQAVUTZHP-UHFFFAOYSA-N
XLogP4.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one (CID 129254368) is 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one is CC(C)n1nccc1-c1ncccc1COc1ccc(F)c2c1C(=O)CC2.
What is the InChIKey of 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one?
The InChIKey is YELJUZQAVUTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13(2)25-17(9-11-24-25)21-14(4-3-10-23-21)12-27-19-8-6-16(22)15-5-7-18(26)20(15)19/h3-4,6,8-11,13H,5,7,12H2,1-2H3.
What are the key properties of 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one?
4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one has a molecular weight of 365.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 129254368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).