benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate

C20H22BrN5O2 — CID 123809376

IUPACbenzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate
SMILESNc1nccn2c([C@H]3CCC[C@@H](NC(=O)OCc4ccccc4)C3)nc(Br)c12
InChIInChI=1S/C20H22BrN5O2/c21-17-16-18(22)23-9-10-26(16)19(25-17)14-7-4-8-15(11-14)24-20(27)28-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,14-15H,4,7-8,11-12H2,(H2,22,23)(H,24,27)/t14-,15+/m0/s1
InChIKeyUUSQMWWRJQFMRD-LSDHHAIUSA-N
MW444.33 g/mol
LogP4.03
Rot. Bonds4

About benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate

benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate (PubChem CID 123809376) has the molecular formula C20H22BrN5O2 and a molecular weight of 444.33 g/mol. Its IUPAC name is benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate
PubChem CID123809376
Molecular FormulaC20H22BrN5O2
Molecular Weight444.33 g/mol
Exact Mass443.10
IUPAC Namebenzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate
SMILESNc1nccn2c([C@H]3CCC[C@@H](NC(=O)OCc4ccccc4)C3)nc(Br)c12
InChIInChI=1S/C20H22BrN5O2/c21-17-16-18(22)23-9-10-26(16)19(25-17)14-7-4-8-15(11-14)24-20(27)28-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,14-15H,4,7-8,11-12H2,(H2,22,23)(H,24,27)/t14-,15+/m0/s1
InChIKeyUUSQMWWRJQFMRD-LSDHHAIUSA-N
XLogP4.03
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
CID 138678996
benzyl N-[(1S,3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]carbamate
CID 90323703
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
CID 42609369
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
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 N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate (CID 123809376) is benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate is Nc1nccn2c([C@H]3CCC[C@@H](NC(=O)OCc4ccccc4)C3)nc(Br)c12.
What is the InChIKey of benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate?
The InChIKey is UUSQMWWRJQFMRD-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H22BrN5O2/c21-17-16-18(22)23-9-10-26(16)19(25-17)14-7-4-8-15(11-14)24-20(27)28-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,14-15H,4,7-8,11-12H2,(H2,22,23)(H,24,27)/t14-,15+/m0/s1.
What are the key properties of benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate?
benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate has a molecular weight of 444.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate is sourced from PubChem (CID 123809376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).