ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate

C16H22BrN3O3 — CID 145442901

IUPACethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)c(C)nc1N1CCC2(CCOC2)CC1
InChIInChI=1S/C16H22BrN3O3/c1-3-23-15(21)12-14(18-11(2)13(17)19-12)20-7-4-16(5-8-20)6-9-22-10-16/h3-10H2,1-2H3
InChIKeyOVGOYBDVBYNJMT-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.73
Rot. Bonds3

About ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate

ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate (PubChem CID 145442901) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
PubChem CID145442901
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC Nameethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)c(C)nc1N1CCC2(CCOC2)CC1
InChIInChI=1S/C16H22BrN3O3/c1-3-23-15(21)12-14(18-11(2)13(17)19-12)20-7-4-16(5-8-20)6-9-22-10-16/h3-10H2,1-2H3
InChIKeyOVGOYBDVBYNJMT-UHFFFAOYSA-N
XLogP2.73
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-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

[6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol;2-methylpropane-2-sulfinamide
CID 164540394
ethyl 6-bromo-3-[(3S,4S)-4-[[(R)-tert-butylsulfinyl]amino]-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methylpyrazine-2-carboxylate
CID 164540381
ethyl 3-[3-[(Z)-2-aminoethenyl]-4-(sulfanylamino)-2,8-diazaspiro[4.5]dec-2-en-8-yl]-6-bromo-5-methylpyrazine-2-carboxylate;2-methylpropane
CID 165393321
ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate
CID 169211132
tert-butyl carbamate;methyl 5-chloro-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
CID 153359755
ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
methyl 6-bromo-5-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine-2-carboxylate
CID 178088282
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate
CID 168654698
ethyl 5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate
CID 166989304
ethyl 3-[(4R)-4-aminospiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-1'-yl]-5-methyl-6-(2-methylpyrazol-3-yl)sulfanylpyrazine-2-carboxylate
CID 172548134
6-bromo-5-methyl-3-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxylic acid
CID 169081935

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate (CID 145442901) is ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate is CCOC(=O)c1nc(Br)c(C)nc1N1CCC2(CCOC2)CC1.
What is the InChIKey of ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate?
The InChIKey is OVGOYBDVBYNJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3/c1-3-23-15(21)12-14(18-11(2)13(17)19-12)20-7-4-16(5-8-20)6-9-22-10-16/h3-10H2,1-2H3.
What are the key properties of ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate?
ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate has a molecular weight of 384.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 145442901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).