4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid

C14H13N5O3 — CID 123170198

IUPAC4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid
SMILESCCn1cc2c(Oc3cnc(N)cn3)cc(C(=O)O)cc2n1
InChIInChI=1S/C14H13N5O3/c1-2-19-7-9-10(18-19)3-8(14(20)21)4-11(9)22-13-6-16-12(15)5-17-13/h3-7H,2H2,1H3,(H2,15,16)(H,20,21)
InChIKeyXDATYMAZJQKFEA-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.92
Rot. Bonds4

About 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid

4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid (PubChem CID 123170198) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid
PubChem CID123170198
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid
SMILESCCn1cc2c(Oc3cnc(N)cn3)cc(C(=O)O)cc2n1
InChIInChI=1S/C14H13N5O3/c1-2-19-7-9-10(18-19)3-8(14(20)21)4-11(9)22-13-6-16-12(15)5-17-13/h3-7H,2H2,1H3,(H2,15,16)(H,20,21)
InChIKeyXDATYMAZJQKFEA-UHFFFAOYSA-N
XLogP1.92
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-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-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid?
The IUPAC name of 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid (CID 123170198) is 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid.
What is the SMILES notation for 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid?
The canonical SMILES for 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid is CCn1cc2c(Oc3cnc(N)cn3)cc(C(=O)O)cc2n1.
What is the InChIKey of 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid?
The InChIKey is XDATYMAZJQKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-2-19-7-9-10(18-19)3-8(14(20)21)4-11(9)22-13-6-16-12(15)5-17-13/h3-7H,2H2,1H3,(H2,15,16)(H,20,21).
What are the key properties of 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid?
4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopyrazin-2-yl)oxy-2-ethylindazole-6-carboxylic acid is sourced from PubChem (CID 123170198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).