1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone

C21H23FN6O — CID 133273937

IUPAC1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3cncc(-n4nc(C)cc4C)n3)CC2)c(F)c1
InChIInChI=1S/C21H23FN6O/c1-14-10-15(2)28(25-14)21-13-23-12-20(24-21)27-8-6-26(7-9-27)19-5-4-17(16(3)29)11-18(19)22/h4-5,10-13H,6-9H2,1-3H3
InChIKeyITVWDEACYCEIJL-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone

1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone (PubChem CID 133273937) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone
PubChem CID133273937
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3cncc(-n4nc(C)cc4C)n3)CC2)c(F)c1
InChIInChI=1S/C21H23FN6O/c1-14-10-15(2)28(25-14)21-13-23-12-20(24-21)27-8-6-26(7-9-27)19-5-4-17(16(3)29)11-18(19)22/h4-5,10-13H,6-9H2,1-3H3
InChIKeyITVWDEACYCEIJL-UHFFFAOYSA-N
XLogP2.95
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone with MolForge

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Related Compounds

1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 133313515
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile
CID 133284867
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 133273983
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
(2-chloro-4-fluorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 133284692
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 133283460
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 133273980
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyrazin-2-amine
CID 133283698
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 133283565
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone (CID 133273937) is 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone is CC(=O)c1ccc(N2CCN(c3cncc(-n4nc(C)cc4C)n3)CC2)c(F)c1.
What is the InChIKey of 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone?
The InChIKey is ITVWDEACYCEIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-14-10-15(2)28(25-14)21-13-23-12-20(24-21)27-8-6-26(7-9-27)19-5-4-17(16(3)29)11-18(19)22/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone?
1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone has a molecular weight of 394.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone is sourced from PubChem (CID 133273937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).