N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide

C10H12N4O3S — CID 58009846

IUPACN-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cnc2c(ccn2S(C)(=O)=O)n1
InChIInChI=1S/C10H12N4O3S/c1-7(15)11-5-8-6-12-10-9(13-8)3-4-14(10)18(2,16)17/h3-4,6H,5H2,1-2H3,(H,11,15)
InChIKeyNWGZCNNHANKPLA-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.12
Rot. Bonds3

About N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide

N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide (PubChem CID 58009846) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide
PubChem CID58009846
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC NameN-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cnc2c(ccn2S(C)(=O)=O)n1
InChIInChI=1S/C10H12N4O3S/c1-7(15)11-5-8-6-12-10-9(13-8)3-4-14(10)18(2,16)17/h3-4,6H,5H2,1-2H3,(H,11,15)
InChIKeyNWGZCNNHANKPLA-UHFFFAOYSA-N
XLogP-0.12
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide (CID 58009846) is N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide is CC(=O)NCc1cnc2c(ccn2S(C)(=O)=O)n1.
What is the InChIKey of N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide?
The InChIKey is NWGZCNNHANKPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-7(15)11-5-8-6-12-10-9(13-8)3-4-14(10)18(2,16)17/h3-4,6H,5H2,1-2H3,(H,11,15).
What are the key properties of N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide?
N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide has a molecular weight of 268.30 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 58009846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).