(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

C17H23BrN6O2 — CID 121457395

IUPAC(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
SMILESCC(C)(C)N1CC(=O)N2C[C@H](c3nc(Br)c4c(N)nccn34)OC[C@H]2C1
InChIInChI=1S/C17H23BrN6O2/c1-17(2,3)22-6-10-9-26-11(7-24(10)12(25)8-22)16-21-14(18)13-15(19)20-4-5-23(13)16/h4-5,10-11H,6-9H2,1-3H3,(H2,19,20)/t10-,11-/m1/s1
InChIKeyMNMRGWGERZPPIB-GHMZBOCLSA-N
MW423.32 g/mol
LogP1.46
Rot. Bonds1

About (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

(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 (PubChem CID 121457395) has the molecular formula C17H23BrN6O2 and a molecular weight of 423.32 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID121457395
Molecular FormulaC17H23BrN6O2
Molecular Weight423.32 g/mol
Exact Mass422.11
IUPAC Name(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
SMILESCC(C)(C)N1CC(=O)N2C[C@H](c3nc(Br)c4c(N)nccn34)OC[C@H]2C1
InChIInChI=1S/C17H23BrN6O2/c1-17(2,3)22-6-10-9-26-11(7-24(10)12(25)8-22)16-21-14(18)13-15(19)20-4-5-23(13)16/h4-5,10-11H,6-9H2,1-3H3,(H2,19,20)/t10-,11-/m1/s1
InChIKeyMNMRGWGERZPPIB-GHMZBOCLSA-N
XLogP1.46
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

4-[3-[(3R,9aR)-8-tert-butyl-6-oxo-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 121456415
(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
(3R,8aR)-3-[8-amino-1-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-one
CID 134477028
(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
(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
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
4-[8-amino-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 123533163
(1S,6R,8aS)-6-[8-amino-1-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one
CID 134477253
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157102374

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)N1CC(=O)N2C[C@H](c3nc(Br)c4c(N)nccn34)OC[C@H]2C1.
What is the InChIKey of (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?
The InChIKey is MNMRGWGERZPPIB-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H23BrN6O2/c1-17(2,3)22-6-10-9-26-11(7-24(10)12(25)8-22)16-21-14(18)13-15(19)20-4-5-23(13)16/h4-5,10-11H,6-9H2,1-3H3,(H2,19,20)/t10-,11-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 423.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 121457395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).