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

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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).