trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid

C14H17BrN4O2 — CID 121455273

IUPACtrans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CCC[C@@H](c2nc(Br)c3c(N)nccn23)C1
InChIInChI=1S/C14H17BrN4O2/c1-14(13(20)21)4-2-3-8(7-14)12-18-10(15)9-11(16)17-5-6-19(9)12/h5-6,8H,2-4,7H2,1H3,(H2,16,17)(H,20,21)/t8-,14+/m1/s1
InChIKeyXXKSUKYIJQHTJF-CLAHSXSESA-N
MW353.22 g/mol
LogP2.82
Rot. Bonds2

About trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid

trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid (PubChem CID 121455273) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
PubChem CID121455273
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Nametrans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CCC[C@@H](c2nc(Br)c3c(N)nccn23)C1
InChIInChI=1S/C14H17BrN4O2/c1-14(13(20)21)4-2-3-8(7-14)12-18-10(15)9-11(16)17-5-6-19(9)12/h5-6,8H,2-4,7H2,1H3,(H2,16,17)(H,20,21)/t8-,14+/m1/s1
InChIKeyXXKSUKYIJQHTJF-CLAHSXSESA-N
XLogP2.82
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-methyl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-propan-2-ylcyclohexane-1-carboxylate
CID 121455768
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
CID 71223385
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157102374
4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid
CID 121457470
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259
benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate
CID 123809376
benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
CID 138678996
8-amino-3-[5-hydroxy-5-(hydroxymethyl)cyclooctyl]imidazo[1,5-a]pyrazin-1-ol
CID 143744389
(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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid (CID 121455273) is trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid is C[C@]1(C(=O)O)CCC[C@@H](c2nc(Br)c3c(N)nccn23)C1.
What is the InChIKey of trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is XXKSUKYIJQHTJF-CLAHSXSESA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-14(13(20)21)4-2-3-8(7-14)12-18-10(15)9-11(16)17-5-6-19(9)12/h5-6,8H,2-4,7H2,1H3,(H2,16,17)(H,20,21)/t8-,14+/m1/s1.
What are the key properties of trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid?
trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 353.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 121455273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).