(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one

C15H17BrClN5O — CID 90283041

IUPAC(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
SMILESCN1CC[C@H]2CC[C@@H](c3nc(Br)c4c(Cl)nccn34)CN2C1=O
InChIInChI=1S/C15H17BrClN5O/c1-20-6-4-10-3-2-9(8-22(10)15(20)23)14-19-12(16)11-13(17)18-5-7-21(11)14/h5,7,9-10H,2-4,6,8H2,1H3/t9-,10-/m1/s1
InChIKeySXESGGJNIYSAKW-NXEZZACHSA-N
MW398.69 g/mol
LogP3.15
Rot. Bonds1

About (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one

(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one (PubChem CID 90283041) has the molecular formula C15H17BrClN5O and a molecular weight of 398.69 g/mol. Its IUPAC name is (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
PubChem CID90283041
Molecular FormulaC15H17BrClN5O
Molecular Weight398.69 g/mol
Exact Mass397.03
IUPAC Name(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
SMILESCN1CC[C@H]2CC[C@@H](c3nc(Br)c4c(Cl)nccn34)CN2C1=O
InChIInChI=1S/C15H17BrClN5O/c1-20-6-4-10-3-2-9(8-22(10)15(20)23)14-19-12(16)11-13(17)18-5-7-21(11)14/h5,7,9-10H,2-4,6,8H2,1H3/t9-,10-/m1/s1
InChIKeySXESGGJNIYSAKW-NXEZZACHSA-N
XLogP3.15
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.69
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one?
The IUPAC name of (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one (CID 90283041) is (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one.
What is the SMILES notation for (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one?
The canonical SMILES for (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one is CN1CC[C@H]2CC[C@@H](c3nc(Br)c4c(Cl)nccn34)CN2C1=O.
What is the InChIKey of (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one?
The InChIKey is SXESGGJNIYSAKW-NXEZZACHSA-N. The full InChI is InChI=1S/C15H17BrClN5O/c1-20-6-4-10-3-2-9(8-22(10)15(20)23)14-19-12(16)11-13(17)18-5-7-21(11)14/h5,7,9-10H,2-4,6,8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one?
(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one has a molecular weight of 398.69 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 90283041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).