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

C16H17BrN6 — CID 166601620

IUPAC4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCN(c4ncccc4Br)CC3)nccn2n1
InChIInChI=1S/C16H17BrN6/c1-12-11-14-16(19-5-6-23(14)20-12)22-9-7-21(8-10-22)15-13(17)3-2-4-18-15/h2-6,11H,7-10H2,1H3
InChIKeyKOPORGATCUAWMM-UHFFFAOYSA-N
MW373.26 g/mol
LogP2.52
Rot. Bonds2

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

4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 166601620) has the molecular formula C16H17BrN6 and a molecular weight of 373.26 g/mol. Its IUPAC name is 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID166601620
Molecular FormulaC16H17BrN6
Molecular Weight373.26 g/mol
Exact Mass372.07
IUPAC Name4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCN(c4ncccc4Br)CC3)nccn2n1
InChIInChI=1S/C16H17BrN6/c1-12-11-14-16(19-5-6-23(14)20-12)22-9-7-21(8-10-22)15-13(17)3-2-4-18-15/h2-6,11H,7-10H2,1H3
InChIKeyKOPORGATCUAWMM-UHFFFAOYSA-N
XLogP2.52
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine (CID 166601620) is 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine is Cc1cc2c(N3CCN(c4ncccc4Br)CC3)nccn2n1.
What is the InChIKey of 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is KOPORGATCUAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN6/c1-12-11-14-16(19-5-6-23(14)20-12)22-9-7-21(8-10-22)15-13(17)3-2-4-18-15/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine has a molecular weight of 373.26 g/mol, XLogP of 2.52, 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]-2-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 166601620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).