7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid

C17H15ClFN3O2 — CID 163389665

IUPAC7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid
SMILESCC(C)Cn1cc(-c2ccc(Cl)c(F)c2)c2ncc(C(=O)O)nc21
InChIInChI=1S/C17H15ClFN3O2/c1-9(2)7-22-8-11(10-3-4-12(18)13(19)5-10)15-16(22)21-14(6-20-15)17(23)24/h3-6,8-9H,7H2,1-2H3,(H,23,24)
InChIKeyLXOWOLSZGUSQKN-UHFFFAOYSA-N
MW347.78 g/mol
LogP4.24
Rot. Bonds4

About 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid

7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid (PubChem CID 163389665) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid
PubChem CID163389665
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid
SMILESCC(C)Cn1cc(-c2ccc(Cl)c(F)c2)c2ncc(C(=O)O)nc21
InChIInChI=1S/C17H15ClFN3O2/c1-9(2)7-22-8-11(10-3-4-12(18)13(19)5-10)15-16(22)21-14(6-20-15)17(23)24/h3-6,8-9H,7H2,1-2H3,(H,23,24)
InChIKeyLXOWOLSZGUSQKN-UHFFFAOYSA-N
XLogP4.24
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-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 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid?
The IUPAC name of 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid (CID 163389665) is 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid.
What is the SMILES notation for 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid?
The canonical SMILES for 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid is CC(C)Cn1cc(-c2ccc(Cl)c(F)c2)c2ncc(C(=O)O)nc21.
What is the InChIKey of 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid?
The InChIKey is LXOWOLSZGUSQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-9(2)7-22-8-11(10-3-4-12(18)13(19)5-10)15-16(22)21-14(6-20-15)17(23)24/h3-6,8-9H,7H2,1-2H3,(H,23,24).
What are the key properties of 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid?
7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid has a molecular weight of 347.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid is sourced from PubChem (CID 163389665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).