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

C20H23FN6O — CID 59321776

IUPAC2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCOCn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H23FN6O/c1-28-15-27-14-16(12-24-27)13-25-8-10-26(11-9-25)20-19(22-6-7-23-20)17-2-4-18(21)5-3-17/h2-7,12,14H,8-11,13,15H2,1H3
InChIKeyVQRBMFGNWBATSH-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.41
Rot. Bonds6

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

2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 59321776) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID59321776
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCOCn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H23FN6O/c1-28-15-27-14-16(12-24-27)13-25-8-10-26(11-9-25)20-19(22-6-7-23-20)17-2-4-18(21)5-3-17/h2-7,12,14H,8-11,13,15H2,1H3
InChIKeyVQRBMFGNWBATSH-UHFFFAOYSA-N
XLogP2.41
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.41
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-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine (CID 59321776) is 2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine is COCn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is VQRBMFGNWBATSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-28-15-27-14-16(12-24-27)13-25-8-10-26(11-9-25)20-19(22-6-7-23-20)17-2-4-18(21)5-3-17/h2-7,12,14H,8-11,13,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
2-(4-fluorophenyl)-3-[4-[[1-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 382.44 g/mol, XLogP of 2.41, 6 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-(methoxymethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 59321776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).