8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine

C15H17ClF2N4 — CID 87371148

IUPAC8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine
SMILESFC1(F)CN(C2CCC(c3ncc4c(Cl)nccn34)CC2)C1
InChIInChI=1S/C15H17ClF2N4/c16-13-12-7-20-14(22(12)6-5-19-13)10-1-3-11(4-2-10)21-8-15(17,18)9-21/h5-7,10-11H,1-4,8-9H2
InChIKeyXYPAZDCRUJNOBI-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.36
Rot. Bonds2

About 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine

8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine (PubChem CID 87371148) has the molecular formula C15H17ClF2N4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine
PubChem CID87371148
Molecular FormulaC15H17ClF2N4
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine
SMILESFC1(F)CN(C2CCC(c3ncc4c(Cl)nccn34)CC2)C1
InChIInChI=1S/C15H17ClF2N4/c16-13-12-7-20-14(22(12)6-5-19-13)10-1-3-11(4-2-10)21-8-15(17,18)9-21/h5-7,10-11H,1-4,8-9H2
InChIKeyXYPAZDCRUJNOBI-UHFFFAOYSA-N
XLogP3.36
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine (CID 87371148) is 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine is FC1(F)CN(C2CCC(c3ncc4c(Cl)nccn34)CC2)C1.
What is the InChIKey of 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine?
The InChIKey is XYPAZDCRUJNOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4/c16-13-12-7-20-14(22(12)6-5-19-13)10-1-3-11(4-2-10)21-8-15(17,18)9-21/h5-7,10-11H,1-4,8-9H2.
What are the key properties of 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine?
8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine has a molecular weight of 326.78 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazine is sourced from PubChem (CID 87371148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).