[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone

C21H23FN6O2 — CID 90637917

IUPAC[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
SMILESCN(C)c1cncc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)C2)n1
InChIInChI=1S/C21H23FN6O2/c1-26(2)19-11-23-12-20(24-19)30-16-8-9-28(13-16)21(29)18-10-17(25-27(18)3)14-4-6-15(22)7-5-14/h4-7,10-12,16H,8-9,13H2,1-3H3
InChIKeyQOGHDOYESXVLMZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.38
Rot. Bonds5

About [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone

[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 90637917) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID90637917
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
SMILESCN(C)c1cncc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)C2)n1
InChIInChI=1S/C21H23FN6O2/c1-26(2)19-11-23-12-20(24-19)30-16-8-9-28(13-16)21(29)18-10-17(25-27(18)3)14-4-6-15(22)7-5-14/h4-7,10-12,16H,8-9,13H2,1-3H3
InChIKeyQOGHDOYESXVLMZ-UHFFFAOYSA-N
XLogP2.38
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162007
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 121160924
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 72717340
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 91627088
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 122268152
4-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]benzonitrile
CID 100617659
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100617746
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-ethoxyethanone
CID 91627081

Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The IUPAC name of [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone (CID 90637917) is [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone.
What is the SMILES notation for [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The canonical SMILES for [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone is CN(C)c1cncc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)C2)n1.
What is the InChIKey of [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is QOGHDOYESXVLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-26(2)19-11-23-12-20(24-19)30-16-8-9-28(13-16)21(29)18-10-17(25-27(18)3)14-4-6-15(22)7-5-14/h4-7,10-12,16H,8-9,13H2,1-3H3.
What are the key properties of [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 410.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 90637917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).