benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate

C17H16BrN5O2 — CID 138678996

IUPACbenzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
SMILESNc1nccn2c(C3CN(C(=O)OCc4ccccc4)C3)nc(Br)c12
InChIInChI=1S/C17H16BrN5O2/c18-14-13-15(19)20-6-7-23(13)16(21-14)12-8-22(9-12)17(24)25-10-11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H2,19,20)
InChIKeyOPUZCRJHQXMMDY-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.81
Rot. Bonds3

About benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate

benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate (PubChem CID 138678996) has the molecular formula C17H16BrN5O2 and a molecular weight of 402.25 g/mol. Its IUPAC name is benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
PubChem CID138678996
Molecular FormulaC17H16BrN5O2
Molecular Weight402.25 g/mol
Exact Mass401.05
IUPAC Namebenzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
SMILESNc1nccn2c(C3CN(C(=O)OCc4ccccc4)C3)nc(Br)c12
InChIInChI=1S/C17H16BrN5O2/c18-14-13-15(19)20-6-7-23(13)16(21-14)12-8-22(9-12)17(24)25-10-11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H2,19,20)
InChIKeyOPUZCRJHQXMMDY-UHFFFAOYSA-N
XLogP2.81
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
CID 42609369
4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 159138732
benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
CID 86720303
CID 89393072
CID 89393072
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
1-[(3S)-3-[8-amino-1-[2-(3,5-dimethylphenyl)ethynyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;benzyl (3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (3S)-3-[8-amino-1-[2-(3,5-dimethylphenyl)ethynyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;3-chlorobut-1-ene;1-[2-(3,5-dimethylphenyl)ethynyl]-3-[(3S)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine;1-ethynyl-3-methoxy-5-methylbenzene
CID 159480670
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964
trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
CID 121455273
benzyl (3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 90323689
benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
CID 86674634
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate?
The IUPAC name of benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate (CID 138678996) is benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate?
The canonical SMILES for benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate is Nc1nccn2c(C3CN(C(=O)OCc4ccccc4)C3)nc(Br)c12.
What is the InChIKey of benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate?
The InChIKey is OPUZCRJHQXMMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2/c18-14-13-15(19)20-6-7-23(13)16(21-14)12-8-22(9-12)17(24)25-10-11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H2,19,20).
What are the key properties of benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate?
benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate has a molecular weight of 402.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate is sourced from PubChem (CID 138678996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).