methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate

C16H18BrN3O5 — CID 89398374

IUPACmethyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)Cc1c(C(=O)OC)cc2c(N3CCOCC3)nc(Br)cn12
InChIInChI=1S/C16H18BrN3O5/c1-23-14(21)8-11-10(16(22)24-2)7-12-15(18-13(17)9-20(11)12)19-3-5-25-6-4-19/h7,9H,3-6,8H2,1-2H3
InChIKeyBJIOWCCKPMBDCU-UHFFFAOYSA-N
MW412.24 g/mol
LogP1.44
Rot. Bonds4

About methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate

methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 89398374) has the molecular formula C16H18BrN3O5 and a molecular weight of 412.24 g/mol. Its IUPAC name is methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID89398374
Molecular FormulaC16H18BrN3O5
Molecular Weight412.24 g/mol
Exact Mass411.04
IUPAC Namemethyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)Cc1c(C(=O)OC)cc2c(N3CCOCC3)nc(Br)cn12
InChIInChI=1S/C16H18BrN3O5/c1-23-14(21)8-11-10(16(22)24-2)7-12-15(18-13(17)9-20(11)12)19-3-5-25-6-4-19/h7,9H,3-6,8H2,1-2H3
InChIKeyBJIOWCCKPMBDCU-UHFFFAOYSA-N
XLogP1.44
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol
CID 52917384
dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate
CID 14690240
methyl 7-(methoxymethyl)-6-morpholin-4-yl-1,5-naphthyridine-4-carboxylate
CID 166801121
N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide
CID 175883938
1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone
CID 126498014
3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid
CID 170309318
ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247717
methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
CID 10690235
6-bromo-N-methyl-N-[2-(methylamino)ethyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 167528924
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 5-isocyano-2-morpholin-4-ylbenzoate
CID 140820727

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate (CID 89398374) is methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate is COC(=O)Cc1c(C(=O)OC)cc2c(N3CCOCC3)nc(Br)cn12.
What is the InChIKey of methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is BJIOWCCKPMBDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O5/c1-23-14(21)8-11-10(16(22)24-2)7-12-15(18-13(17)9-20(11)12)19-3-5-25-6-4-19/h7,9H,3-6,8H2,1-2H3.
What are the key properties of methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate?
methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 412.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 89398374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).