(6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one

C15H16BrClN4O2 — CID 86727794

IUPAC(6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC1(C)OC(=O)N2C[C@H](c3nc(Br)c4c(Cl)nccn34)CC[C@H]21
InChIInChI=1S/C15H16BrClN4O2/c1-15(2)9-4-3-8(7-21(9)14(22)23-15)13-19-11(16)10-12(17)18-5-6-20(10)13/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyUOORFSVUJMWZKO-BDAKNGLRSA-N
MW399.68 g/mol
LogP3.62
Rot. Bonds1

About (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one

(6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 86727794) has the molecular formula C15H16BrClN4O2 and a molecular weight of 399.68 g/mol. Its IUPAC name is (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID86727794
Molecular FormulaC15H16BrClN4O2
Molecular Weight399.68 g/mol
Exact Mass398.01
IUPAC Name(6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC1(C)OC(=O)N2C[C@H](c3nc(Br)c4c(Cl)nccn34)CC[C@H]21
InChIInChI=1S/C15H16BrClN4O2/c1-15(2)9-4-3-8(7-21(9)14(22)23-15)13-19-11(16)10-12(17)18-5-6-20(10)13/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyUOORFSVUJMWZKO-BDAKNGLRSA-N
XLogP3.62
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.68
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one 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 (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 86727794) is (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one is CC1(C)OC(=O)N2C[C@H](c3nc(Br)c4c(Cl)nccn34)CC[C@H]21.
What is the InChIKey of (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is UOORFSVUJMWZKO-BDAKNGLRSA-N. The full InChI is InChI=1S/C15H16BrClN4O2/c1-15(2)9-4-3-8(7-21(9)14(22)23-15)13-19-11(16)10-12(17)18-5-6-20(10)13/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one?
(6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 399.68 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 86727794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).