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

C17H27BrN4O3 — CID 164540399

IUPACethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine
SMILESCCOC(=O)c1nc(Br)c(C)nc1N1CCC2(CCOC2)CC1.CN
InChIInChI=1S/C16H22BrN3O3.CH5N/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;1-2/h3-10H2,1-2H3;2H2,1H3
InChIKeyOXAYSBXGLIAKDR-UHFFFAOYSA-N
MW415.33 g/mol
LogP2.31
Rot. Bonds3

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

ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine (PubChem CID 164540399) has the molecular formula C17H27BrN4O3 and a molecular weight of 415.33 g/mol. Its IUPAC name is ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine.

Molecular Properties

Compound Nameethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine
PubChem CID164540399
Molecular FormulaC17H27BrN4O3
Molecular Weight415.33 g/mol
Exact Mass414.13
IUPAC Nameethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine
SMILESCCOC(=O)c1nc(Br)c(C)nc1N1CCC2(CCOC2)CC1.CN
InChIInChI=1S/C16H22BrN3O3.CH5N/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;1-2/h3-10H2,1-2H3;2H2,1H3
InChIKeyOXAYSBXGLIAKDR-UHFFFAOYSA-N
XLogP2.31
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Ethyl 6-bromo-3-[4-(difluoromethyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-1-yl]-5-methylpyrazine-2-carboxylate
CID 156148683
Ethyl 6-bromo-3-[4-[2-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-methylpiperidin-1-yl]-5-methylpyrazine-2-carboxylate
CID 156148785
Ethyl 6-bromo-3-[4-(fluoromethyl)-4-[2-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-1-yl]-5-methylpyrazine-2-carboxylate
CID 156148813
Ethyl 6-bromo-3-[4-(fluoromethyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-1-yl]-5-methylpyrazine-2-carboxylate
CID 156646788
Ethyl 6-bromo-5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
CID 134183240
ethyl 3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-bromo-5-methylpyrazine-2-carboxylate
CID 134183285
ethyl 3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-bromopyrazine-2-carboxylate
CID 138553353
ethyl 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-carboxylate
CID 138735023
Ethane;ethyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
CID 142558682
Ethyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
CID 142558683
Ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
CID 145442901
methyl 6-bromo-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxylate
CID 146477638

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;methanamine?
The IUPAC name of ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine (CID 164540399) is ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine.
What is the SMILES notation for ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine?
The canonical SMILES for ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine is CCOC(=O)c1nc(Br)c(C)nc1N1CCC2(CCOC2)CC1.CN.
What is the InChIKey of ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine?
The InChIKey is OXAYSBXGLIAKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3.CH5N/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;1-2/h3-10H2,1-2H3;2H2,1H3.
What are the key properties of ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine?
ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate;methanamine has a molecular weight of 415.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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;methanamine is sourced from PubChem (CID 164540399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).