[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid

C13H16BrN5O2 — CID 71223385

IUPAC[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
SMILESNc1nccn2c([C@H]3CCC[C@H](NC(=O)O)C3)nc(Br)c12
InChIInChI=1S/C13H16BrN5O2/c14-10-9-11(15)16-4-5-19(9)12(18-10)7-2-1-3-8(6-7)17-13(20)21/h4-5,7-8,17H,1-3,6H2,(H2,15,16)(H,20,21)/t7-,8-/m0/s1
InChIKeyRFYSDCYOMFNOBY-YUMQZZPRSA-N
MW354.21 g/mol
LogP2.37
Rot. Bonds2

About [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid

[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid (PubChem CID 71223385) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
PubChem CID71223385
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
SMILESNc1nccn2c([C@H]3CCC[C@H](NC(=O)O)C3)nc(Br)c12
InChIInChI=1S/C13H16BrN5O2/c14-10-9-11(15)16-4-5-19(9)12(18-10)7-2-1-3-8(6-7)17-13(20)21/h4-5,7-8,17H,1-3,6H2,(H2,15,16)(H,20,21)/t7-,8-/m0/s1
InChIKeyRFYSDCYOMFNOBY-YUMQZZPRSA-N
XLogP2.37
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate
CID 123809376
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
CID 121455273
trans-methyl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-propan-2-ylcyclohexane-1-carboxylate
CID 121455768
benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
CID 138678996
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
(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
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
CID 154658368
(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

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid?
The IUPAC name of [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid (CID 71223385) is [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid?
The canonical SMILES for [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid is Nc1nccn2c([C@H]3CCC[C@H](NC(=O)O)C3)nc(Br)c12.
What is the InChIKey of [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid?
The InChIKey is RFYSDCYOMFNOBY-YUMQZZPRSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c14-10-9-11(15)16-4-5-19(9)12(18-10)7-2-1-3-8(6-7)17-13(20)21/h4-5,7-8,17H,1-3,6H2,(H2,15,16)(H,20,21)/t7-,8-/m0/s1.
What are the key properties of [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid?
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid has a molecular weight of 354.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid is sourced from PubChem (CID 71223385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).