4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid

C18H19ClN4O3 — CID 175944892

IUPAC4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
SMILESCCOc1nc(Cl)cc2c1c(Nc1ccccc1)nn2CCCC(=O)O
InChIInChI=1S/C18H19ClN4O3/c1-2-26-18-16-13(11-14(19)21-18)23(10-6-9-15(24)25)22-17(16)20-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,20,22)(H,24,25)
InChIKeyOUJYIZKIJMAVSU-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.09
Rot. Bonds8

About 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid

4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid (PubChem CID 175944892) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
PubChem CID175944892
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
SMILESCCOc1nc(Cl)cc2c1c(Nc1ccccc1)nn2CCCC(=O)O
InChIInChI=1S/C18H19ClN4O3/c1-2-26-18-16-13(11-14(19)21-18)23(10-6-9-15(24)25)22-17(16)20-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,20,22)(H,24,25)
InChIKeyOUJYIZKIJMAVSU-UHFFFAOYSA-N
XLogP4.09
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic 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-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The IUPAC name of 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid (CID 175944892) is 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid is CCOc1nc(Cl)cc2c1c(Nc1ccccc1)nn2CCCC(=O)O.
What is the InChIKey of 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The InChIKey is OUJYIZKIJMAVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-2-26-18-16-13(11-14(19)21-18)23(10-6-9-15(24)25)22-17(16)20-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid has a molecular weight of 374.83 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid is sourced from PubChem (CID 175944892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).