3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C15H17FN2O3 — CID 172882430

IUPAC3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESO=C(C1=COCCC1)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C15H17FN2O3/c16-13-4-1-5-14(17-13)21-12-6-7-18(9-12)15(19)11-3-2-8-20-10-11/h1,4-5,10,12H,2-3,6-9H2
InChIKeyDQHJOURNKNDSFP-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.89
Rot. Bonds3

About 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 172882430) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
PubChem CID172882430
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESO=C(C1=COCCC1)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C15H17FN2O3/c16-13-4-1-5-14(17-13)21-12-6-7-18(9-12)15(19)11-3-2-8-20-10-11/h1,4-5,10,12H,2-3,6-9H2
InChIKeyDQHJOURNKNDSFP-UHFFFAOYSA-N
XLogP1.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 172882287
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172882481
2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893
5-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 172905000
2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 172882207
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550
1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 178201856
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 171999583
2-ethoxy-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 172882241
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 171704720
2-cyclopentyloxy-6-fluoropyridine
CID 61227788
2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
CID 172904927

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 172882430) is 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is O=C(C1=COCCC1)N1CCC(Oc2cccc(F)n2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The InChIKey is DQHJOURNKNDSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-13-4-1-5-14(17-13)21-12-6-7-18(9-12)15(19)11-3-2-8-20-10-11/h1,4-5,10,12H,2-3,6-9H2.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 292.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 172882430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).