1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone

C18H21FN4O2 — CID 100618258

IUPAC1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3ccccc3F)C2)n1
InChIInChI=1S/C18H21FN4O2/c1-22(2)16-10-20-11-17(21-16)25-14-7-8-23(12-14)18(24)9-13-5-3-4-6-15(13)19/h3-6,10-11,14H,7-9,12H2,1-2H3/t14-/m0/s1
InChIKeyVCFXOXVPJJIBPI-AWEZNQCLSA-N
MW344.39 g/mol
LogP1.90
Rot. Bonds5

About 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone

1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 100618258) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID100618258
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3ccccc3F)C2)n1
InChIInChI=1S/C18H21FN4O2/c1-22(2)16-10-20-11-17(21-16)25-14-7-8-23(12-14)18(24)9-13-5-3-4-6-15(13)19/h3-6,10-11,14H,7-9,12H2,1-2H3/t14-/m0/s1
InChIKeyVCFXOXVPJJIBPI-AWEZNQCLSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

rac-1-(2-((1H-imidazol-1-yl)methyl)morpholino)-2-(4-fluorophenyl)ethanone
CID 46960541
2-(2-Fluorophenyl)-1-{4-[(3-methoxypyrazin-2-YL)amino]piperidin-1-YL}ethan-1-one
CID 53185542
3-{[1-(4-Fluorobenzoyl)pyrrolidin-3-YL]oxy}-N-methyl-N-propylpyrazin-2-amine
CID 91904394
1-(3-{[3-(Dimethylamino)-2-pyrazinyl]oxy}-1-pyrrolidinyl)-4-(4-fluorophenyl)-1,4-butanedione
CID 91914162
2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide
CID 127026559
1-(3-{[3-(Dimethylamino)pyrazin-2-YL]oxy}pyrrolidin-1-YL)-4-phenylbutan-1-one
CID 91914168
2-(4-Fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
CID 53185541
2-(2,4-Difluorophenyl)-1-(3-((3-methoxypyrazin-2-yl)oxy)pyrrolidin-1-yl)ethanone
CID 91626960
3-{[1-(2,6-Difluorobenzoyl)pyrrolidin-3-YL]oxy}-N-methyl-N-propylpyrazin-2-amine
CID 91914218
1-[2-[3-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrazin-2-yl]oxyethyl]pyrrolidine-2,5-dione
CID 172436841
1-[2-[3-[4-(2-Phenylethyl)piperazin-1-yl]pyrazin-2-yl]oxyethyl]pyrrolidine-2,5-dione
CID 172436943
2-phenyl-N-(6-piperidin-4-yloxypyrazin-2-yl)propanamide
CID 172437284

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 100618258) is 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone is CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3ccccc3F)C2)n1.
What is the InChIKey of 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is VCFXOXVPJJIBPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-22(2)16-10-20-11-17(21-16)25-14-7-8-23(12-14)18(24)9-13-5-3-4-6-15(13)19/h3-6,10-11,14H,7-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 344.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 100618258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).