3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine

C11H11F2N3O — CID 122652226

IUPAC3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine
SMILESCOc1nc(C)cn2c(C3CC3(F)F)ncc12
InChIInChI=1S/C11H11F2N3O/c1-6-5-16-8(10(15-6)17-2)4-14-9(16)7-3-11(7,12)13/h4-5,7H,3H2,1-2H3
InChIKeyDOXFKPMTDYJBOX-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.17
Rot. Bonds2

About 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine

3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine (PubChem CID 122652226) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine
PubChem CID122652226
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine
SMILESCOc1nc(C)cn2c(C3CC3(F)F)ncc12
InChIInChI=1S/C11H11F2N3O/c1-6-5-16-8(10(15-6)17-2)4-14-9(16)7-3-11(7,12)13/h4-5,7H,3H2,1-2H3
InChIKeyDOXFKPMTDYJBOX-UHFFFAOYSA-N
XLogP2.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine (CID 122652226) is 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine is COc1nc(C)cn2c(C3CC3(F)F)ncc12.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine?
The InChIKey is DOXFKPMTDYJBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-6-5-16-8(10(15-6)17-2)4-14-9(16)7-3-11(7,12)13/h4-5,7H,3H2,1-2H3.
What are the key properties of 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine?
3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine has a molecular weight of 239.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)-8-methoxy-6-methylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 122652226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).