1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

C19H23N3O4 — CID 72710964

IUPAC1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H23N3O4/c1-24-18-4-2-3-5-19(18)25-9-8-20-12-15(23)13-26-16-6-7-17-14(10-16)11-21-22-17/h2-7,10-11,15,20,23H,8-9,12-13H2,1H3,(H,21,22)
InChIKeyRDPDDDYJCYZKHP-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.98
Rot. Bonds10

About 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (PubChem CID 72710964) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
PubChem CID72710964
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H23N3O4/c1-24-18-4-2-3-5-19(18)25-9-8-20-12-15(23)13-26-16-6-7-17-14(10-16)11-21-22-17/h2-7,10-11,15,20,23H,8-9,12-13H2,1H3,(H,21,22)
InChIKeyRDPDDDYJCYZKHP-UHFFFAOYSA-N
XLogP1.98
TPSA88.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol 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 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (CID 72710964) is 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is COc1ccccc1OCCNCC(O)COc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The InChIKey is RDPDDDYJCYZKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-18-4-2-3-5-19(18)25-9-8-20-12-15(23)13-26-16-6-7-17-14(10-16)11-21-22-17/h2-7,10-11,15,20,23H,8-9,12-13H2,1H3,(H,21,22).
What are the key properties of 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol has a molecular weight of 357.41 g/mol, XLogP of 1.98, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 72710964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).