3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

C18H21FN4O — CID 127246974

IUPAC3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1cncc(C2CCCN2C(=O)CCc2ccccc2F)n1
InChIInChI=1S/C18H21FN4O/c1-20-17-12-21-11-15(22-17)16-7-4-10-23(16)18(24)9-8-13-5-2-3-6-14(13)19/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,20,22)
InChIKeyVJEOJAVQXACXLX-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.95
Rot. Bonds5

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

3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 127246974) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID127246974
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1cncc(C2CCCN2C(=O)CCc2ccccc2F)n1
InChIInChI=1S/C18H21FN4O/c1-20-17-12-21-11-15(22-17)16-7-4-10-23(16)18(24)9-8-13-5-2-3-6-14(13)19/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,20,22)
InChIKeyVJEOJAVQXACXLX-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 124940231
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124988135
1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124986769
(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 175652538
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127246993
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
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 132767196

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 127246974) is 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is CNc1cncc(C2CCCN2C(=O)CCc2ccccc2F)n1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VJEOJAVQXACXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-20-17-12-21-11-15(22-17)16-7-4-10-23(16)18(24)9-8-13-5-2-3-6-14(13)19/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,20,22).
What are the key properties of 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 328.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 127246974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).