4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

C15H15BrN6 — CID 166605461

IUPAC4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESBrc1cccnc1N1CCN(c2nccn3nccc23)CC1
InChIInChI=1S/C15H15BrN6/c16-12-2-1-4-17-14(12)20-8-10-21(11-9-20)15-13-3-5-19-22(13)7-6-18-15/h1-7H,8-11H2
InChIKeyGVZJUTWHNLUAAY-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.21
Rot. Bonds2

About 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 166605461) has the molecular formula C15H15BrN6 and a molecular weight of 359.23 g/mol. Its IUPAC name is 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID166605461
Molecular FormulaC15H15BrN6
Molecular Weight359.23 g/mol
Exact Mass358.05
IUPAC Name4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESBrc1cccnc1N1CCN(c2nccn3nccc23)CC1
InChIInChI=1S/C15H15BrN6/c16-12-2-1-4-17-14(12)20-8-10-21(11-9-20)15-13-3-5-19-22(13)7-6-18-15/h1-7H,8-11H2
InChIKeyGVZJUTWHNLUAAY-UHFFFAOYSA-N
XLogP2.21
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 166601620
4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830011
4-[4-(2-chloroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446610
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide
CID 104730286
4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine
CID 104729861
4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 154829132
4-[4-(2-chloroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446615
4-(4-chlorophenyl)-1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-ol
CID 163350499
4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104734120
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
5-(3-bromo-2-pyridinyl)-1,2,5-dithiazepane
CID 131101938

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 166605461) is 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is Brc1cccnc1N1CCN(c2nccn3nccc23)CC1.
What is the InChIKey of 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is GVZJUTWHNLUAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6/c16-12-2-1-4-17-14(12)20-8-10-21(11-9-20)15-13-3-5-19-22(13)7-6-18-15/h1-7H,8-11H2.
What are the key properties of 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 359.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 166605461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).