2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C16H9F2N5O2 — CID 71236502

IUPAC2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3cn(-c4cc(F)ccc4F)cn3)nc12
InChIInChI=1S/C16H9F2N5O2/c17-8-1-2-10(18)13(3-8)23-6-12(21-7-23)11-5-20-15-14(22-11)9(4-19-15)16(24)25/h1-7H,(H,19,20)(H,24,25)
InChIKeyYEXNVFIEACLAMF-UHFFFAOYSA-N
MW341.28 g/mol
LogP2.79
Rot. Bonds3

About 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71236502) has the molecular formula C16H9F2N5O2 and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71236502
Molecular FormulaC16H9F2N5O2
Molecular Weight341.28 g/mol
Exact Mass341.07
IUPAC Name2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3cn(-c4cc(F)ccc4F)cn3)nc12
InChIInChI=1S/C16H9F2N5O2/c17-8-1-2-10(18)13(3-8)23-6-12(21-7-23)11-5-20-15-14(22-11)9(4-19-15)16(24)25/h1-7H,(H,19,20)(H,24,25)
InChIKeyYEXNVFIEACLAMF-UHFFFAOYSA-N
XLogP2.79
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid 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 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71236502) is 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3cn(-c4cc(F)ccc4F)cn3)nc12.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is YEXNVFIEACLAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N5O2/c17-8-1-2-10(18)13(3-8)23-6-12(21-7-23)11-5-20-15-14(22-11)9(4-19-15)16(24)25/h1-7H,(H,19,20)(H,24,25).
What are the key properties of 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 341.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)imidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71236502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).