(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

C14H16BrN5O2 — CID 90283752

IUPAC(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
SMILESNc1nccn2c([C@H]3CC[C@@H]4COCC(=O)N4C3)nc(Br)c12
InChIInChI=1S/C14H16BrN5O2/c15-12-11-13(16)17-3-4-19(11)14(18-12)8-1-2-9-6-22-7-10(21)20(9)5-8/h3-4,8-9H,1-2,5-7H2,(H2,16,17)/t8-,9+/m0/s1
InChIKeyIPCSUNLMJFUSMC-DTWKUNHWSA-N
MW366.22 g/mol
LogP1.18
Rot. Bonds1

About (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

(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 (PubChem CID 90283752) has the molecular formula C14H16BrN5O2 and a molecular weight of 366.22 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID90283752
Molecular FormulaC14H16BrN5O2
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC Name(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
SMILESNc1nccn2c([C@H]3CC[C@@H]4COCC(=O)N4C3)nc(Br)c12
InChIInChI=1S/C14H16BrN5O2/c15-12-11-13(16)17-3-4-19(11)14(18-12)8-1-2-9-6-22-7-10(21)20(9)5-8/h3-4,8-9H,1-2,5-7H2,(H2,16,17)/t8-,9+/m0/s1
InChIKeyIPCSUNLMJFUSMC-DTWKUNHWSA-N
XLogP1.18
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 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
(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
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
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
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
(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
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157102374
(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
trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
CID 121455273
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
CID 71223385

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Nc1nccn2c([C@H]3CC[C@@H]4COCC(=O)N4C3)nc(Br)c12.
What is the InChIKey of (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?
The InChIKey is IPCSUNLMJFUSMC-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H16BrN5O2/c15-12-11-13(16)17-3-4-19(11)14(18-12)8-1-2-9-6-22-7-10(21)20(9)5-8/h3-4,8-9H,1-2,5-7H2,(H2,16,17)/t8-,9+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 366.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 90283752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).