3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine

C17H17BrN4O — CID 122655981

IUPAC3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine
SMILESBrc1c(-c2ccncc2)nc2c(OC3CCCCC3)nccn12
InChIInChI=1S/C17H17BrN4O/c18-15-14(12-6-8-19-9-7-12)21-16-17(20-10-11-22(15)16)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2
InChIKeyMPSIQSCXBTWVDU-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.27
Rot. Bonds3

About 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine

3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine (PubChem CID 122655981) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine
PubChem CID122655981
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine
SMILESBrc1c(-c2ccncc2)nc2c(OC3CCCCC3)nccn12
InChIInChI=1S/C17H17BrN4O/c18-15-14(12-6-8-19-9-7-12)21-16-17(20-10-11-22(15)16)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2
InChIKeyMPSIQSCXBTWVDU-UHFFFAOYSA-N
XLogP4.27
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine (CID 122655981) is 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine is Brc1c(-c2ccncc2)nc2c(OC3CCCCC3)nccn12.
What is the InChIKey of 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine?
The InChIKey is MPSIQSCXBTWVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c18-15-14(12-6-8-19-9-7-12)21-16-17(20-10-11-22(15)16)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2.
What are the key properties of 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine?
3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine has a molecular weight of 373.25 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-cyclohexyloxy-2-pyridin-4-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 122655981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).