(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C15H18BrN5O — CID 138600859

IUPAC(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESNc1nccn2c(C3CC[C@H]4CCCC(=O)N4C3)nc(Br)c12
InChIInChI=1S/C15H18BrN5O/c16-13-12-14(17)18-6-7-20(12)15(19-13)9-4-5-10-2-1-3-11(22)21(10)8-9/h6-7,9-10H,1-5,8H2,(H2,17,18)/t9?,10-/m1/s1
InChIKeyUHVFLRNAUDVYPA-QVDQXJPCSA-N
MW364.25 g/mol
LogP2.33
Rot. Bonds1

About (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 138600859) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID138600859
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESNc1nccn2c(C3CC[C@H]4CCCC(=O)N4C3)nc(Br)c12
InChIInChI=1S/C15H18BrN5O/c16-13-12-14(17)18-6-7-20(12)15(19-13)9-4-5-10-2-1-3-11(22)21(10)8-9/h6-7,9-10H,1-5,8H2,(H2,17,18)/t9?,10-/m1/s1
InChIKeyUHVFLRNAUDVYPA-QVDQXJPCSA-N
XLogP2.33
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one with MolForge

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Related Compounds

(7R,9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 90283466
(7S,9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
CID 90283752
6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one
CID 161414845
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine
CID 123183862
(6R,8aS)-6-[1-(4-acetylphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 121456555
7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 90283810
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259
(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
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
CID 71223385
(6R,8aS)-6-[8-amino-1-[4-[(1S)-1-(3-methylphenyl)ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 145112652
(3R,9aR)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-8-tert-butyl-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one
CID 121457395

Frequently Asked Questions

What is the IUPAC name of (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 138600859) is (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is Nc1nccn2c(C3CC[C@H]4CCCC(=O)N4C3)nc(Br)c12.
What is the InChIKey of (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is UHVFLRNAUDVYPA-QVDQXJPCSA-N. The full InChI is InChI=1S/C15H18BrN5O/c16-13-12-14(17)18-6-7-20(12)15(19-13)9-4-5-10-2-1-3-11(22)21(10)8-9/h6-7,9-10H,1-5,8H2,(H2,17,18)/t9?,10-/m1/s1.
What are the key properties of (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 364.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 138600859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).