6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C19H20N2O4S — CID 139341574

IUPAC6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C19H20N2O4S/c1-12-9-16(21-8-7-20-19(22)18(12)21)15-10-14(26(2,23)24)5-6-17(15)25-11-13-3-4-13/h5-10,13H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyPDLKIFQMZCTKPY-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.80
Rot. Bonds5

About 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 139341574) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID139341574
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C19H20N2O4S/c1-12-9-16(21-8-7-20-19(22)18(12)21)15-10-14(26(2,23)24)5-6-17(15)25-11-13-3-4-13/h5-10,13H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyPDLKIFQMZCTKPY-UHFFFAOYSA-N
XLogP2.80
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 139341574) is 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12.
What is the InChIKey of 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is PDLKIFQMZCTKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-9-16(21-8-7-20-19(22)18(12)21)15-10-14(26(2,23)24)5-6-17(15)25-11-13-3-4-13/h5-10,13H,3-4,11H2,1-2H3,(H,20,22).
What are the key properties of 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 372.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 139341574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).