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

C20H23N3O3 — CID 118565697

IUPACmethyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2cccc(OCCN(C)C)c2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-22(2)11-12-26-16-8-6-7-15(13-16)20-17-9-4-5-10-18(17)23(21-20)14-19(24)25-3/h4-10,13H,11-12,14H2,1-3H3
InChIKeyILERQQLJGWWIKI-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.82
Rot. Bonds7

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

methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate (PubChem CID 118565697) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate
PubChem CID118565697
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2cccc(OCCN(C)C)c2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-22(2)11-12-26-16-8-6-7-15(13-16)20-17-9-4-5-10-18(17)23(21-20)14-19(24)25-3/h4-10,13H,11-12,14H2,1-3H3
InChIKeyILERQQLJGWWIKI-UHFFFAOYSA-N
XLogP2.82
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate (CID 118565697) is methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate is COC(=O)Cn1nc(-c2cccc(OCCN(C)C)c2)c2ccccc21.
What is the InChIKey of methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate?
The InChIKey is ILERQQLJGWWIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)11-12-26-16-8-6-7-15(13-16)20-17-9-4-5-10-18(17)23(21-20)14-19(24)25-3/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate?
methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate has a molecular weight of 353.42 g/mol, XLogP of 2.82, 7 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-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate is sourced from PubChem (CID 118565697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).