[2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate

C15H13N3O3 — CID 91137828

IUPAC[2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate
SMILESCOc1ccc(-c2cc3nccnc3[nH]2)cc1OC(C)=O
InChIInChI=1S/C15H13N3O3/c1-9(19)21-14-7-10(3-4-13(14)20-2)11-8-12-15(18-11)17-6-5-16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyBLWMOIZOQWHDHH-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.56
Rot. Bonds3

About [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate

[2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate (PubChem CID 91137828) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate
PubChem CID91137828
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name[2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate
SMILESCOc1ccc(-c2cc3nccnc3[nH]2)cc1OC(C)=O
InChIInChI=1S/C15H13N3O3/c1-9(19)21-14-7-10(3-4-13(14)20-2)11-8-12-15(18-11)17-6-5-16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyBLWMOIZOQWHDHH-UHFFFAOYSA-N
XLogP2.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(5-carbonochloridoyl-2-methoxyphenyl) acetate
CID 18536926
2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde
CID 87883205
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746
[5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate
CID 139664300
(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
(3-acetyloxy-4-methoxyphenyl)boronic acid
CID 119084154
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 18369996
4-O-[2-methoxy-5-[4-methoxy-3-[(E)-4-methoxy-4-oxobut-2-enoyl]oxyphenyl]phenyl] 1-O-methyl (E)-but-2-enedioate
CID 90064872
[2-(3-acetyloxy-4-methoxyphenyl)-5-methoxy-4-oxochromen-7-yl] acetate
CID 163008395
(3,4-dimethoxyphenyl) acetate
CID 593001
2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile
CID 86016389

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate?
The IUPAC name of [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate (CID 91137828) is [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate.
What is the SMILES notation for [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate?
The canonical SMILES for [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate is COc1ccc(-c2cc3nccnc3[nH]2)cc1OC(C)=O.
What is the InChIKey of [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate?
The InChIKey is BLWMOIZOQWHDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9(19)21-14-7-10(3-4-13(14)20-2)11-8-12-15(18-11)17-6-5-16-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate?
[2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate has a molecular weight of 283.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] acetate is sourced from PubChem (CID 91137828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).