2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone

C22H25N3O3 — CID 155534725

IUPAC2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone
SMILESCOc1ccc(CC(=O)n2nc(OCCN3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-27-18-10-8-17(9-11-18)16-21(26)25-20-7-3-2-6-19(20)22(23-25)28-15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-16H2,1H3
InChIKeyCMPZCYYEUVTKFE-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.40
Rot. Bonds7

About 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone

2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone (PubChem CID 155534725) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone
PubChem CID155534725
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone
SMILESCOc1ccc(CC(=O)n2nc(OCCN3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-27-18-10-8-17(9-11-18)16-21(26)25-20-7-3-2-6-19(20)22(23-25)28-15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-16H2,1H3
InChIKeyCMPZCYYEUVTKFE-UHFFFAOYSA-N
XLogP3.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone (CID 155534725) is 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone is COc1ccc(CC(=O)n2nc(OCCN3CCCC3)c3ccccc32)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone?
The InChIKey is CMPZCYYEUVTKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-18-10-8-17(9-11-18)16-21(26)25-20-7-3-2-6-19(20)22(23-25)28-15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone has a molecular weight of 379.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone is sourced from PubChem (CID 155534725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).