tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate

C16H21ClN4O4 — CID 121456320

IUPACtert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](c2ncc3c(Cl)nccn23)OC[C@H]1CO
InChIInChI=1S/C16H21ClN4O4/c1-16(2,3)25-15(23)21-7-12(24-9-10(21)8-22)14-19-6-11-13(17)18-4-5-20(11)14/h4-6,10,12,22H,7-9H2,1-3H3/t10-,12-/m1/s1
InChIKeyQKABKOJWEAGJND-ZYHUDNBSSA-N
MW368.82 g/mol
LogP2.05
Rot. Bonds2

About tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate

tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 121456320) has the molecular formula C16H21ClN4O4 and a molecular weight of 368.82 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID121456320
Molecular FormulaC16H21ClN4O4
Molecular Weight368.82 g/mol
Exact Mass368.13
IUPAC Nametert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](c2ncc3c(Cl)nccn23)OC[C@H]1CO
InChIInChI=1S/C16H21ClN4O4/c1-16(2,3)25-15(23)21-7-12(24-9-10(21)8-22)14-19-6-11-13(17)18-4-5-20(11)14/h4-6,10,12,22H,7-9H2,1-3H3/t10-,12-/m1/s1
InChIKeyQKABKOJWEAGJND-ZYHUDNBSSA-N
XLogP2.05
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate 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

tert-butyl (3S)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
CID 162382405
tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate
CID 121456237
tert-butyl 5-[(4-chlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)morpholine-4-carboxylate
CID 155577150
tert-butyl 4-(6-amino-3-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 118045667
tert-butyl 2-(chloromethyl)aziridine-1-carboxylate
CID 170382164
tert-butyl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
CID 139708119
dibutyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperazine-1,4-dicarboxylate
CID 89389093
tert-butyl 5-[(4-chlorophenyl)methyl]-2-(1,5-dimethylpyrazol-3-yl)morpholine-4-carboxylate;ethane
CID 155577146
tert-butyl 2-(hydroxymethyl)-4-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 175438699
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 51358557
tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 130614753
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate (CID 121456320) is tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1C[C@H](c2ncc3c(Cl)nccn23)OC[C@H]1CO.
What is the InChIKey of tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is QKABKOJWEAGJND-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H21ClN4O4/c1-16(2,3)25-15(23)21-7-12(24-9-10(21)8-22)14-19-6-11-13(17)18-4-5-20(11)14/h4-6,10,12,22H,7-9H2,1-3H3/t10-,12-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate?
tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 121456320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).