2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

C20H18N4O — CID 141340921

IUPAC2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
SMILESCC(C)C(=O)c1c[nH]c2ncc(-c3cccc(-n4cccc4)c3)nc12
InChIInChI=1S/C20H18N4O/c1-13(2)19(25)16-11-21-20-18(16)23-17(12-22-20)14-6-5-7-15(10-14)24-8-3-4-9-24/h3-13H,1-2H3,(H,21,22)
InChIKeyBOQFDBTUEHRCPB-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.25
Rot. Bonds4

About 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (PubChem CID 141340921) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
PubChem CID141340921
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
SMILESCC(C)C(=O)c1c[nH]c2ncc(-c3cccc(-n4cccc4)c3)nc12
InChIInChI=1S/C20H18N4O/c1-13(2)19(25)16-11-21-20-18(16)23-17(12-22-20)14-6-5-7-15(10-14)24-8-3-4-9-24/h3-13H,1-2H3,(H,21,22)
InChIKeyBOQFDBTUEHRCPB-UHFFFAOYSA-N
XLogP4.25
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (CID 141340921) is 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is CC(C)C(=O)c1c[nH]c2ncc(-c3cccc(-n4cccc4)c3)nc12.
What is the InChIKey of 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The InChIKey is BOQFDBTUEHRCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13(2)19(25)16-11-21-20-18(16)23-17(12-22-20)14-6-5-7-15(10-14)24-8-3-4-9-24/h3-13H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one has a molecular weight of 330.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 141340921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).