tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate

C25H31BrClN5O6 — CID 121456237

IUPACtert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate
SMILESCOc1ccc(CNc2ncc(Cl)n3c(C4CN(C(=O)OC(C)(C)C)C(CO)CO4)nc(Br)c23)c(OC)c1
InChIInChI=1S/C25H31BrClN5O6/c1-25(2,3)38-24(34)31-11-18(37-13-15(31)12-33)23-30-21(26)20-22(29-10-19(27)32(20)23)28-9-14-6-7-16(35-4)8-17(14)36-5/h6-8,10,15,18,33H,9,11-13H2,1-5H3,(H,28,29)
InChIKeyZGBHOSOWIXMVLL-UHFFFAOYSA-N
MW612.91 g/mol
LogP4.44
Rot. Bonds7

About tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate

tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 121456237) has the molecular formula C25H31BrClN5O6 and a molecular weight of 612.91 g/mol. Its IUPAC name is tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID121456237
Molecular FormulaC25H31BrClN5O6
Molecular Weight612.91 g/mol
Exact Mass611.11
IUPAC Nametert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate
SMILESCOc1ccc(CNc2ncc(Cl)n3c(C4CN(C(=O)OC(C)(C)C)C(CO)CO4)nc(Br)c23)c(OC)c1
InChIInChI=1S/C25H31BrClN5O6/c1-25(2,3)38-24(34)31-11-18(37-13-15(31)12-33)23-30-21(26)20-22(29-10-19(27)32(20)23)28-9-14-6-7-16(35-4)8-17(14)36-5/h6-8,10,15,18,33H,9,11-13H2,1-5H3,(H,28,29)
InChIKeyZGBHOSOWIXMVLL-UHFFFAOYSA-N
XLogP4.44
TPSA119.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.91
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[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 (2R,5R)-2-[1-bromo-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-[[(2-methoxy-2-oxoethyl)-propan-2-ylamino]methyl]morpholine-4-carboxylate
CID 121457176
tert-butyl 5-[1-bromo-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-2-[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 121456275
benzyl (3R)-3-[1-bromo-8-[(2,4-dimethoxyphenyl)methylamino]-5-(methoxymethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 71235541
tert-butyl (2R,5R)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-5-(hydroxymethyl)morpholine-4-carboxylate
CID 121456320
5-[1-bromo-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-2-(hydroxymethyl)-5-methylpiperidine-1-carboxylic acid
CID 121455023
benzyl (2S,5R)-5-[1-bromo-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-2-(trifluoromethyl)piperidine-1-carboxylate
CID 90312111
cis-methyl (1R,3S)-3-[1-bromo-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 121454947
tert-butyl (3S)-3-[1-bromo-8-[(2-methoxy-4-methylphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-3-hydroxypiperidine-1-carboxylate
CID 90323699
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]methylamino]piperidine-1-carboxylate;ethane;methanethiol
CID 143001406
tert-butyl 3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-iodopyrazolo[4,3-c]pyridin-1-yl]azetidine-1-carboxylate
CID 142749837
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate
CID 67276766
tert-butyl 2-[2-[(2-bromo-4-methoxyphenyl)methylamino]ethyl]pyrrolidine-1-carboxylate
CID 112748950

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of 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) is tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate is COc1ccc(CNc2ncc(Cl)n3c(C4CN(C(=O)OC(C)(C)C)C(CO)CO4)nc(Br)c23)c(OC)c1.
What is the InChIKey of tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is ZGBHOSOWIXMVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31BrClN5O6/c1-25(2,3)38-24(34)31-11-18(37-13-15(31)12-33)23-30-21(26)20-22(29-10-19(27)32(20)23)28-9-14-6-7-16(35-4)8-17(14)36-5/h6-8,10,15,18,33H,9,11-13H2,1-5H3,(H,28,29).
What are the key properties of tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate?
tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate has a molecular weight of 612.91 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-bromo-5-chloro-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]-5-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 121456237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).