1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one

C20H25FN4O — CID 124940231

IUPAC1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESCN(C)Cc1cncc([C@H]2CCCN2C(=O)CCc2ccccc2F)n1
InChIInChI=1S/C20H25FN4O/c1-24(2)14-16-12-22-13-18(23-16)19-8-5-11-25(19)20(26)10-9-15-6-3-4-7-17(15)21/h3-4,6-7,12-13,19H,5,8-11,14H2,1-2H3/t19-/m1/s1
InChIKeyAEWWLGALJAJHEZ-LJQANCHMSA-N
MW356.44 g/mol
LogP2.97
Rot. Bonds6

About 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one

1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 124940231) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID124940231
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESCN(C)Cc1cncc([C@H]2CCCN2C(=O)CCc2ccccc2F)n1
InChIInChI=1S/C20H25FN4O/c1-24(2)14-16-12-22-13-18(23-16)19-8-5-11-25(19)20(26)10-9-15-6-3-4-7-17(15)21/h3-4,6-7,12-13,19H,5,8-11,14H2,1-2H3/t19-/m1/s1
InChIKeyAEWWLGALJAJHEZ-LJQANCHMSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127246974
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
1-[(2S)-2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124940144
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110117305
[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124947110
1-[2-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110092358
3-(2-fluorophenyl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124950069
ethyl 5-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 166269514
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
CID 124966706
N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 132767196
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
3-(2-fluorophenyl)-1-[(2S)-2-[6-[4-[2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 67889147

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one (CID 124940231) is 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one is CN(C)Cc1cncc([C@H]2CCCN2C(=O)CCc2ccccc2F)n1.
What is the InChIKey of 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is AEWWLGALJAJHEZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-24(2)14-16-12-22-13-18(23-16)19-8-5-11-25(19)20(26)10-9-15-6-3-4-7-17(15)21/h3-4,6-7,12-13,19H,5,8-11,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one?
1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 356.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 124940231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).