[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone

C22H27FN4O2 — CID 110149487

IUPAC[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
SMILESCN(C)c1cncc(C2CCCN2C(=O)C2(c3cccc(F)c3)CCOCC2)n1
InChIInChI=1S/C22H27FN4O2/c1-26(2)20-15-24-14-18(25-20)19-7-4-10-27(19)21(28)22(8-11-29-12-9-22)16-5-3-6-17(23)13-16/h3,5-6,13-15,19H,4,7-12H2,1-2H3
InChIKeyLNROWXKFNYBGFK-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.09
Rot. Bonds4

About [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone

[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone (PubChem CID 110149487) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
PubChem CID110149487
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
SMILESCN(C)c1cncc(C2CCCN2C(=O)C2(c3cccc(F)c3)CCOCC2)n1
InChIInChI=1S/C22H27FN4O2/c1-26(2)20-15-24-14-18(25-20)19-7-4-10-27(19)21(28)22(8-11-29-12-9-22)16-5-3-6-17(23)13-16/h3,5-6,13-15,19H,4,7-12H2,1-2H3
InChIKeyLNROWXKFNYBGFK-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 124959023
2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124976327
[1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92568488
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 127247057
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127247055
2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124982957
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120818399
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 124589559
[(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124952766

Frequently Asked Questions

What is the IUPAC name of [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone?
The IUPAC name of [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone (CID 110149487) is [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone.
What is the SMILES notation for [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone?
The canonical SMILES for [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone is CN(C)c1cncc(C2CCCN2C(=O)C2(c3cccc(F)c3)CCOCC2)n1.
What is the InChIKey of [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone?
The InChIKey is LNROWXKFNYBGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-26(2)20-15-24-14-18(25-20)19-7-4-10-27(19)21(28)22(8-11-29-12-9-22)16-5-3-6-17(23)13-16/h3,5-6,13-15,19H,4,7-12H2,1-2H3.
What are the key properties of [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone?
[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone has a molecular weight of 398.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone is sourced from PubChem (CID 110149487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).