7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one

C13H11N3O2 — CID 154976776

IUPAC7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1cnccc1-c1cc2c(=O)[nH]ccn2c1
InChIInChI=1S/C13H11N3O2/c1-18-12-7-14-3-2-10(12)9-6-11-13(17)15-4-5-16(11)8-9/h2-8H,1H3,(H,15,17)
InChIKeySBJWXVFJIHWLOM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.70
Rot. Bonds2

About 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one

7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 154976776) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID154976776
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1cnccc1-c1cc2c(=O)[nH]ccn2c1
InChIInChI=1S/C13H11N3O2/c1-18-12-7-14-3-2-10(12)9-6-11-13(17)15-4-5-16(11)8-9/h2-8H,1H3,(H,15,17)
InChIKeySBJWXVFJIHWLOM-UHFFFAOYSA-N
XLogP1.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 154976776) is 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one is COc1cnccc1-c1cc2c(=O)[nH]ccn2c1.
What is the InChIKey of 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is SBJWXVFJIHWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-12-7-14-3-2-10(12)9-6-11-13(17)15-4-5-16(11)8-9/h2-8H,1H3,(H,15,17).
What are the key properties of 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 241.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxy-4-pyridinyl)-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 154976776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).