1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one

C18H20FN3O — CID 124886786

IUPAC1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
SMILESC[C@@H]1CCN(C(=O)CCc2cnccn2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H20FN3O/c1-13-7-10-22(18(13)14-3-2-4-15(19)11-14)17(23)6-5-16-12-20-8-9-21-16/h2-4,8-9,11-13,18H,5-7,10H2,1H3/t13-,18-/m1/s1
InChIKeyHPIURFNXGKODHE-FZKQIMNGSA-N
MW313.38 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one

1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one (PubChem CID 124886786) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
PubChem CID124886786
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
SMILESC[C@@H]1CCN(C(=O)CCc2cnccn2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H20FN3O/c1-13-7-10-22(18(13)14-3-2-4-15(19)11-14)17(23)6-5-16-12-20-8-9-21-16/h2-4,8-9,11-13,18H,5-7,10H2,1H3/t13-,18-/m1/s1
InChIKeyHPIURFNXGKODHE-FZKQIMNGSA-N
XLogP3.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119807985
3,3-difluoro-1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 124740019
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119808005
tert-butyl (3S)-2-(3-fluorophenyl)-3-methylpyrrolidine-1-carboxylate
CID 66684612
1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 97023664
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 25279991
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119808014
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone
CID 124689082
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(2R,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone
CID 124693173
3-[(2S,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]propanoic acid
CID 124694167
1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
CID 155493256
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119808004

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The IUPAC name of 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one (CID 124886786) is 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one is C[C@@H]1CCN(C(=O)CCc2cnccn2)[C@H]1c1cccc(F)c1.
What is the InChIKey of 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The InChIKey is HPIURFNXGKODHE-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-13-7-10-22(18(13)14-3-2-4-15(19)11-14)17(23)6-5-16-12-20-8-9-21-16/h2-4,8-9,11-13,18H,5-7,10H2,1H3/t13-,18-/m1/s1.
What are the key properties of 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one has a molecular weight of 313.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 124886786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).