2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid

C17H14N2O3 — CID 177038556

IUPAC2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid
SMILESCc1oc2ccc([C@@H]3CC3c3cnccn3)cc2c1C(=O)O
InChIInChI=1S/C17H14N2O3/c1-9-16(17(20)21)13-6-10(2-3-15(13)22-9)11-7-12(11)14-8-18-4-5-19-14/h2-6,8,11-12H,7H2,1H3,(H,20,21)/t11-,12?/m0/s1
InChIKeyWCURFFNJIPKIQB-PXYINDEMSA-N
MW294.31 g/mol
LogP3.50
Rot. Bonds3

About 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid

2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid (PubChem CID 177038556) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid
PubChem CID177038556
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid
SMILESCc1oc2ccc([C@@H]3CC3c3cnccn3)cc2c1C(=O)O
InChIInChI=1S/C17H14N2O3/c1-9-16(17(20)21)13-6-10(2-3-15(13)22-9)11-7-12(11)14-8-18-4-5-19-14/h2-6,8,11-12H,7H2,1H3,(H,20,21)/t11-,12?/m0/s1
InChIKeyWCURFFNJIPKIQB-PXYINDEMSA-N
XLogP3.50
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-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-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid (CID 177038556) is 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid is Cc1oc2ccc([C@@H]3CC3c3cnccn3)cc2c1C(=O)O.
What is the InChIKey of 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid?
The InChIKey is WCURFFNJIPKIQB-PXYINDEMSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-9-16(17(20)21)13-6-10(2-3-15(13)22-9)11-7-12(11)14-8-18-4-5-19-14/h2-6,8,11-12H,7H2,1H3,(H,20,21)/t11-,12?/m0/s1.
What are the key properties of 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid?
2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1R)-2-pyrazin-2-ylcyclopropyl]-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 177038556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).