4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid

C21H19ClFN5O2 — CID 175255194

IUPAC4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid
SMILESCc1[nH]nc(Cl)c1-c1cc(C(C)C)c2cc(-c3cn(C)c(C(=O)O)n3)c(F)cc2n1
InChIInChI=1S/C21H19ClFN5O2/c1-9(2)11-6-16(18-10(3)26-27-19(18)22)24-15-7-14(23)13(5-12(11)15)17-8-28(4)20(25-17)21(29)30/h5-9H,1-4H3,(H,26,27)(H,29,30)
InChIKeyHUPZQUULWBVJEU-UHFFFAOYSA-N
MW427.87 g/mol
LogP4.95
Rot. Bonds4

About 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid

4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid (PubChem CID 175255194) has the molecular formula C21H19ClFN5O2 and a molecular weight of 427.87 g/mol. Its IUPAC name is 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid
PubChem CID175255194
Molecular FormulaC21H19ClFN5O2
Molecular Weight427.87 g/mol
Exact Mass427.12
IUPAC Name4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid
SMILESCc1[nH]nc(Cl)c1-c1cc(C(C)C)c2cc(-c3cn(C)c(C(=O)O)n3)c(F)cc2n1
InChIInChI=1S/C21H19ClFN5O2/c1-9(2)11-6-16(18-10(3)26-27-19(18)22)24-15-7-14(23)13(5-12(11)15)17-8-28(4)20(25-17)21(29)30/h5-9H,1-4H3,(H,26,27)(H,29,30)
InChIKeyHUPZQUULWBVJEU-UHFFFAOYSA-N
XLogP4.95
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-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 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid?
The IUPAC name of 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid (CID 175255194) is 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid.
What is the SMILES notation for 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid?
The canonical SMILES for 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid is Cc1[nH]nc(Cl)c1-c1cc(C(C)C)c2cc(-c3cn(C)c(C(=O)O)n3)c(F)cc2n1.
What is the InChIKey of 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid?
The InChIKey is HUPZQUULWBVJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O2/c1-9(2)11-6-16(18-10(3)26-27-19(18)22)24-15-7-14(23)13(5-12(11)15)17-8-28(4)20(25-17)21(29)30/h5-9H,1-4H3,(H,26,27)(H,29,30).
What are the key properties of 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid?
4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid has a molecular weight of 427.87 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)-7-fluoro-4-propan-2-ylquinolin-6-yl]-1-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 175255194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).