7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane

C13H18N4O2 — CID 82666384

IUPAC7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane
SMILESCOc1cnc2c(n1)c(C1CCNCCO1)cn2C
InChIInChI=1S/C13H18N4O2/c1-17-8-9(10-3-4-14-5-6-19-10)12-13(17)15-7-11(16-12)18-2/h7-8,10,14H,3-6H2,1-2H3
InChIKeyKQGMSXMUEPHRIY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.03
Rot. Bonds2

About 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane

7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane (PubChem CID 82666384) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane.

Molecular Properties

Compound Name7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane
PubChem CID82666384
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane
SMILESCOc1cnc2c(n1)c(C1CCNCCO1)cn2C
InChIInChI=1S/C13H18N4O2/c1-17-8-9(10-3-4-14-5-6-19-10)12-13(17)15-7-11(16-12)18-2/h7-8,10,14H,3-6H2,1-2H3
InChIKeyKQGMSXMUEPHRIY-UHFFFAOYSA-N
XLogP1.03
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine
CID 82665137
2-methoxy-5-methyl-7-(2-methylpyrrolidin-2-yl)pyrrolo[2,3-b]pyrazine
CID 82665045
3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine
CID 82666157
7-(1,4-dimethylindol-3-yl)-1,4-oxazepane
CID 82664727
7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane
CID 82622821
7-(1,5-dimethylindol-2-yl)-1,4-oxazepane
CID 82664734
4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine
CID 82666180
(7S)-7-pyrimidin-4-yl-1,4-oxazepane
CID 96743058
5-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane
CID 82665121
7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane
CID 82666659
7-(1,6-dimethylindol-2-yl)-1,4-oxazepane
CID 82664733
7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
CID 82622922

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane?
The IUPAC name of 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane (CID 82666384) is 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane.
What is the SMILES notation for 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane?
The canonical SMILES for 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane is COc1cnc2c(n1)c(C1CCNCCO1)cn2C.
What is the InChIKey of 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane?
The InChIKey is KQGMSXMUEPHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-8-9(10-3-4-14-5-6-19-10)12-13(17)15-7-11(16-12)18-2/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane?
7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane has a molecular weight of 262.31 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane is sourced from PubChem (CID 82666384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).