benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate

C18H17ClN4O2 — CID 86674634

IUPACbenzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](c2ncc3c(Cl)nccn23)C1
InChIInChI=1S/C18H17ClN4O2/c19-16-15-10-21-17(23(15)9-7-20-16)14-6-8-22(11-14)18(24)25-12-13-4-2-1-3-5-13/h1-5,7,9-10,14H,6,8,11-12H2/t14-/m1/s1
InChIKeyJTAXUJIEGOTXIP-CQSZACIVSA-N
MW356.81 g/mol
LogP3.51
Rot. Bonds3

About benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate

benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate (PubChem CID 86674634) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
PubChem CID86674634
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Namebenzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](c2ncc3c(Cl)nccn23)C1
InChIInChI=1S/C18H17ClN4O2/c19-16-15-10-21-17(23(15)9-7-20-16)14-6-8-22(11-14)18(24)25-12-13-4-2-1-3-5-13/h1-5,7,9-10,14H,6,8,11-12H2/t14-/m1/s1
InChIKeyJTAXUJIEGOTXIP-CQSZACIVSA-N
XLogP3.51
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (7S,9aS)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate
CID 90282957
CID 89393072
CID 89393072
tert-butyl (3S)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
CID 162382405
benzyl (3R)-3-(4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)pyrrolidine-1-carboxylate
CID 163207712
benzyl 3-(5-chloro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 130472322
benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate
CID 87370860
benzyl (3R)-3-(2-amino-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 136632560
benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
CID 42609369
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
CID 175852571
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl 3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 130472055

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate (CID 86674634) is benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](c2ncc3c(Cl)nccn23)C1.
What is the InChIKey of benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is JTAXUJIEGOTXIP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-16-15-10-21-17(23(15)9-7-20-16)14-6-8-22(11-14)18(24)25-12-13-4-2-1-3-5-13/h1-5,7,9-10,14H,6,8,11-12H2/t14-/m1/s1.
What are the key properties of benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate?
benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 86674634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).