2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid

C18H19N3O4 — CID 165127497

IUPAC2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid
SMILESNCCCOc1ccc2[nH]nc(-c3cccc(OCC(=O)O)c3)c2c1
InChIInChI=1S/C18H19N3O4/c19-7-2-8-24-14-5-6-16-15(10-14)18(21-20-16)12-3-1-4-13(9-12)25-11-17(22)23/h1,3-6,9-10H,2,7-8,11,19H2,(H,20,21)(H,22,23)
InChIKeyWWFOHHBSFBIONS-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.42
Rot. Bonds8

About 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid

2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid (PubChem CID 165127497) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid
PubChem CID165127497
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid
SMILESNCCCOc1ccc2[nH]nc(-c3cccc(OCC(=O)O)c3)c2c1
InChIInChI=1S/C18H19N3O4/c19-7-2-8-24-14-5-6-16-15(10-14)18(21-20-16)12-3-1-4-13(9-12)25-11-17(22)23/h1,3-6,9-10H,2,7-8,11,19H2,(H,20,21)(H,22,23)
InChIKeyWWFOHHBSFBIONS-UHFFFAOYSA-N
XLogP2.42
TPSA110.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide
CID 143349905
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
CID 143156346
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
CID 170838850
2-[3-(5-ethoxycarbonyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 169400608
2-[3-(2-fluorophenyl)phenoxy]acetic acid
CID 39349094
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid
CID 69090482
N,N-dimethyl-2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine
CID 22479784
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid
CID 19821938
3-[3-[3-(dimethylamino)propoxy]phenyl]-1H-indazole-5-carbonitrile;triphenylphosphane
CID 160843518
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid (CID 165127497) is 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid is NCCCOc1ccc2[nH]nc(-c3cccc(OCC(=O)O)c3)c2c1.
What is the InChIKey of 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid?
The InChIKey is WWFOHHBSFBIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c19-7-2-8-24-14-5-6-16-15(10-14)18(21-20-16)12-3-1-4-13(9-12)25-11-17(22)23/h1,3-6,9-10H,2,7-8,11,19H2,(H,20,21)(H,22,23).
What are the key properties of 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid?
2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid has a molecular weight of 341.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid is sourced from PubChem (CID 165127497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).