methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate

C22H27N3O3 — CID 90090818

IUPACmethyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate
SMILESCCN(CC)CCOc1cccc(-c2nn(CC(=O)OC)c3ccccc23)c1
InChIInChI=1S/C22H27N3O3/c1-4-24(5-2)13-14-28-18-10-8-9-17(15-18)22-19-11-6-7-12-20(19)25(23-22)16-21(26)27-3/h6-12,15H,4-5,13-14,16H2,1-3H3
InChIKeyUXIWCOABXWZSTN-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.60
Rot. Bonds9

About methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate

methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate (PubChem CID 90090818) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate
PubChem CID90090818
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Namemethyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate
SMILESCCN(CC)CCOc1cccc(-c2nn(CC(=O)OC)c3ccccc23)c1
InChIInChI=1S/C22H27N3O3/c1-4-24(5-2)13-14-28-18-10-8-9-17(15-18)22-19-11-6-7-12-20(19)25(23-22)16-21(26)27-3/h6-12,15H,4-5,13-14,16H2,1-3H3
InChIKeyUXIWCOABXWZSTN-UHFFFAOYSA-N
XLogP3.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate 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

methyl 2-[3-(3-isocyanophenyl)indazol-1-yl]acetate
CID 123494998
N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
CID 12819473
methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate
CID 130346560
ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide
CID 143349905
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 22687978
3,3,3-trifluoroprop-1-en-2-yl 3-[3-(3-methoxyphenyl)indazol-1-yl]-2,2-dimethylpropanoate
CID 175877542
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 20984118
methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate
CID 166044917
1-[4-[3-[2-(diethylamino)ethoxy]phenyl]-2-oxo-1-(2-phenylethyl)-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 22105963

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate (CID 90090818) is methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate is CCN(CC)CCOc1cccc(-c2nn(CC(=O)OC)c3ccccc23)c1.
What is the InChIKey of methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate?
The InChIKey is UXIWCOABXWZSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-24(5-2)13-14-28-18-10-8-9-17(15-18)22-19-11-6-7-12-20(19)25(23-22)16-21(26)27-3/h6-12,15H,4-5,13-14,16H2,1-3H3.
What are the key properties of methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate?
methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate has a molecular weight of 381.48 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate is sourced from PubChem (CID 90090818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).