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

C20H21FN6O — CID 133353791

IUPAC4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
SMILESCc1cc(C)n(-c2cncc(N3CCN(Cc4cccc(F)c4)C(=O)C3)n2)n1
InChIInChI=1S/C20H21FN6O/c1-14-8-15(2)27(24-14)19-11-22-10-18(23-19)25-6-7-26(20(28)13-25)12-16-4-3-5-17(21)9-16/h3-5,8-11H,6-7,12-13H2,1-2H3
InChIKeyOAKRWINTOKWWRU-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.27
Rot. Bonds4

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

4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one (PubChem CID 133353791) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
PubChem CID133353791
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
SMILESCc1cc(C)n(-c2cncc(N3CCN(Cc4cccc(F)c4)C(=O)C3)n2)n1
InChIInChI=1S/C20H21FN6O/c1-14-8-15(2)27(24-14)19-11-22-10-18(23-19)25-6-7-26(20(28)13-25)12-16-4-3-5-17(21)9-16/h3-5,8-11H,6-7,12-13H2,1-2H3
InChIKeyOAKRWINTOKWWRU-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(6-methyl-5-nitro-2-pyridinyl)piperazin-2-one
CID 122137910
1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133283076
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile
CID 133484157
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
(2-chloro-4-fluorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 133284692
1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 133273937
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 133283565
1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one
CID 165435048
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile
CID 133284867
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one (CID 133353791) is 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one is Cc1cc(C)n(-c2cncc(N3CCN(Cc4cccc(F)c4)C(=O)C3)n2)n1.
What is the InChIKey of 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is OAKRWINTOKWWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-14-8-15(2)27(24-14)19-11-22-10-18(23-19)25-6-7-26(20(28)13-25)12-16-4-3-5-17(21)9-16/h3-5,8-11H,6-7,12-13H2,1-2H3.
What are the key properties of 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 380.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 133353791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).