[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C14H15FN4O2 — CID 172882481

IUPAC[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(Oc3cccc(F)n3)C2)cn1
InChIInChI=1S/C14H15FN4O2/c1-18-8-10(7-16-18)14(20)19-6-5-11(9-19)21-13-4-2-3-12(15)17-13/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyZURHMKDCUFAWSN-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.25
Rot. Bonds3

About [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 172882481) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID172882481
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(Oc3cccc(F)n3)C2)cn1
InChIInChI=1S/C14H15FN4O2/c1-18-8-10(7-16-18)14(20)19-6-5-11(9-19)21-13-4-2-3-12(15)17-13/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyZURHMKDCUFAWSN-UHFFFAOYSA-N
XLogP1.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 172882287
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550
5-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 172905000
2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893
2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 172882207
3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 172882430
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
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 171999583
(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129417594
1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 178201856
[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10319071

Frequently Asked Questions

What is the IUPAC name of [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 172882481) is [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCC(Oc3cccc(F)n3)C2)cn1.
What is the InChIKey of [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is ZURHMKDCUFAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-18-8-10(7-16-18)14(20)19-6-5-11(9-19)21-13-4-2-3-12(15)17-13/h2-4,7-8,11H,5-6,9H2,1H3.
What are the key properties of [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 290.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 172882481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).