1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

C17H16FN3O — CID 67371923

IUPAC1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2nc(-c3cccc(F)c3)cnc12
InChIInChI=1S/C17H16FN3O/c1-17(2,3)15(22)12-8-20-16-14(12)19-9-13(21-16)10-5-4-6-11(18)7-10/h4-9H,1-3H3,(H,20,21)
InChIKeyQZUWMTBOFCGJEY-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.99
Rot. Bonds2

About 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (PubChem CID 67371923) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
PubChem CID67371923
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2nc(-c3cccc(F)c3)cnc12
InChIInChI=1S/C17H16FN3O/c1-17(2,3)15(22)12-8-20-16-14(12)19-9-13(21-16)10-5-4-6-11(18)7-10/h4-9H,1-3H3,(H,20,21)
InChIKeyQZUWMTBOFCGJEY-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (CID 67371923) is 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1c[nH]c2nc(-c3cccc(F)c3)cnc12.
What is the InChIKey of 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The InChIKey is QZUWMTBOFCGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-17(2,3)15(22)12-8-20-16-14(12)19-9-13(21-16)10-5-4-6-11(18)7-10/h4-9H,1-3H3,(H,20,21).
What are the key properties of 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one has a molecular weight of 297.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 67371923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).