(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone

C17H24FN3O2 — CID 128986270

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone
SMILESCC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C17H24FN3O2/c1-12(2)21-15(7-8-19-21)16-14(6-4-10-23-16)17(22)20-9-3-5-13(18)11-20/h5,7-8,12,14,16H,3-4,6,9-11H2,1-2H3/t14-,16-/m1/s1
InChIKeyZORMIUIQOMNZHC-GDBMZVCRSA-N
MW321.40 g/mol
LogP3.02
Rot. Bonds3

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone (PubChem CID 128986270) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone
PubChem CID128986270
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone
SMILESCC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C17H24FN3O2/c1-12(2)21-15(7-8-19-21)16-14(6-4-10-23-16)17(22)20-9-3-5-13(18)11-20/h5,7-8,12,14,16H,3-4,6,9-11H2,1-2H3/t14-,16-/m1/s1
InChIKeyZORMIUIQOMNZHC-GDBMZVCRSA-N
XLogP3.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone (CID 128986270) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone is CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCC=C(F)C1.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone?
The InChIKey is ZORMIUIQOMNZHC-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(2)21-15(7-8-19-21)16-14(6-4-10-23-16)17(22)20-9-3-5-13(18)11-20/h5,7-8,12,14,16H,3-4,6,9-11H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone has a molecular weight of 321.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone is sourced from PubChem (CID 128986270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).