4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

C16H18FN7 — CID 154829132

IUPAC4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1nc(C)c(F)c(N2CCN(c3nccn4nccc34)CC2)n1
InChIInChI=1S/C16H18FN7/c1-11-14(17)16(21-12(2)20-11)23-9-7-22(8-10-23)15-13-3-4-19-24(13)6-5-18-15/h3-6H,7-10H2,1-2H3
InChIKeyXJVRYVVEZILDJU-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.60
Rot. Bonds2

About 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 154829132) has the molecular formula C16H18FN7 and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID154829132
Molecular FormulaC16H18FN7
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1nc(C)c(F)c(N2CCN(c3nccn4nccc34)CC2)n1
InChIInChI=1S/C16H18FN7/c1-11-14(17)16(21-12(2)20-11)23-9-7-22(8-10-23)15-13-3-4-19-24(13)6-5-18-15/h3-6H,7-10H2,1-2H3
InChIKeyXJVRYVVEZILDJU-UHFFFAOYSA-N
XLogP1.60
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 154830011
4-[4-(2-chloroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
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4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine
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CID 163350499
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide
CID 104730286
4-[4-[(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 163354367
4-[4-(2-chloroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446615
ethane;4-methylpyrazolo[1,5-a]pyrazine
CID 145108173
4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine
CID 171328024
4-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-amine
CID 103577532

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 154829132) is 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is Cc1nc(C)c(F)c(N2CCN(c3nccn4nccc34)CC2)n1.
What is the InChIKey of 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is XJVRYVVEZILDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7/c1-11-14(17)16(21-12(2)20-11)23-9-7-22(8-10-23)15-13-3-4-19-24(13)6-5-18-15/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 327.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 154829132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).