2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine

C21H25FN6O — CID 59322035

IUPAC2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCOCCn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H25FN6O/c1-29-13-12-28-16-17(14-25-28)15-26-8-10-27(11-9-26)21-20(23-6-7-24-21)18-2-4-19(22)5-3-18/h2-7,14,16H,8-13,15H2,1H3
InChIKeyLDGFQCGLOHCRCJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.45
Rot. Bonds7

About 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine

2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 59322035) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID59322035
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCOCCn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H25FN6O/c1-29-13-12-28-16-17(14-25-28)15-26-8-10-27(11-9-26)21-20(23-6-7-24-21)18-2-4-19(22)5-3-18/h2-7,14,16H,8-13,15H2,1H3
InChIKeyLDGFQCGLOHCRCJ-UHFFFAOYSA-N
XLogP2.45
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine (CID 59322035) is 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine is COCCn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is LDGFQCGLOHCRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-29-13-12-28-16-17(14-25-28)15-26-8-10-27(11-9-26)21-20(23-6-7-24-21)18-2-4-19(22)5-3-18/h2-7,14,16H,8-13,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 396.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[4-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 59322035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).