2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

C16H16N4O — CID 141340819

IUPAC2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOC1CN(c2cccc(-c3cnc4[nH]ccc4n3)c2)C1
InChIInChI=1S/C16H16N4O/c1-21-13-9-20(10-13)12-4-2-3-11(7-12)15-8-18-16-14(19-15)5-6-17-16/h2-8,13H,9-10H2,1H3,(H,17,18)
InChIKeyNHQRBWULFICTJJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds3

About 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 141340819) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID141340819
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOC1CN(c2cccc(-c3cnc4[nH]ccc4n3)c2)C1
InChIInChI=1S/C16H16N4O/c1-21-13-9-20(10-13)12-4-2-3-11(7-12)15-8-18-16-14(19-15)5-6-17-16/h2-8,13H,9-10H2,1H3,(H,17,18)
InChIKeyNHQRBWULFICTJJ-UHFFFAOYSA-N
XLogP2.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone
CID 141340885
1-[2-[3-(3-methoxypyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59541040
2-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 150329888
ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
CID 145168511
2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 141340828
1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 141369111
2-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
CID 141293376
2-(3-pyrrolidin-1-ylphenyl)quinoxaline
CID 168513067
1-[2-[3-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540650
2-(2-fluoro-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122193287
2-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 141293375
2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 141340793

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (CID 141340819) is 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is COC1CN(c2cccc(-c3cnc4[nH]ccc4n3)c2)C1.
What is the InChIKey of 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is NHQRBWULFICTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-13-9-20(10-13)12-4-2-3-11(7-12)15-8-18-16-14(19-15)5-6-17-16/h2-8,13H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 280.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 141340819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).