3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid

C12H13BrClN5O2 — CID 89387342

IUPAC3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid
SMILESNc1ncc(Cl)n2c(C3CCCN(C(=O)O)C3)nc(Br)c12
InChIInChI=1S/C12H13BrClN5O2/c13-9-8-10(15)16-4-7(14)19(8)11(17-9)6-2-1-3-18(5-6)12(20)21/h4,6H,1-3,5H2,(H2,15,16)(H,20,21)
InChIKeyODMYMAYGPOXXFL-UHFFFAOYSA-N
MW374.63 g/mol
LogP2.58
Rot. Bonds1

About 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid

3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid (PubChem CID 89387342) has the molecular formula C12H13BrClN5O2 and a molecular weight of 374.63 g/mol. Its IUPAC name is 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid
PubChem CID89387342
Molecular FormulaC12H13BrClN5O2
Molecular Weight374.63 g/mol
Exact Mass372.99
IUPAC Name3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid
SMILESNc1ncc(Cl)n2c(C3CCCN(C(=O)O)C3)nc(Br)c12
InChIInChI=1S/C12H13BrClN5O2/c13-9-8-10(15)16-4-7(14)19(8)11(17-9)6-2-1-3-18(5-6)12(20)21/h4,6H,1-3,5H2,(H2,15,16)(H,20,21)
InChIKeyODMYMAYGPOXXFL-UHFFFAOYSA-N
XLogP2.58
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.63
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid
CID 130409213
1-[(3R)-3-[8-amino-5-chloro-1-[4-[hydroxy-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one
CID 145113856
8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide
CID 165000831
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 89401167
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
CID 71223385
tert-butyl (3R)-3-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 90397256
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid
CID 170313062
4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87370877
trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
CID 121455273
tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate
CID 171544233

Frequently Asked Questions

What is the IUPAC name of 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid (CID 89387342) is 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid is Nc1ncc(Cl)n2c(C3CCCN(C(=O)O)C3)nc(Br)c12.
What is the InChIKey of 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid?
The InChIKey is ODMYMAYGPOXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN5O2/c13-9-8-10(15)16-4-7(14)19(8)11(17-9)6-2-1-3-18(5-6)12(20)21/h4,6H,1-3,5H2,(H2,15,16)(H,20,21).
What are the key properties of 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid?
3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid has a molecular weight of 374.63 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 89387342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).