1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid

C23H18N2O5 — CID 162643582

IUPAC1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(C(=O)O)ccc21
InChIInChI=1S/C23H18N2O5/c26-18(14-25-22-11-6-16(23(27)28)12-17(22)13-24-25)15-29-19-7-9-21(10-8-19)30-20-4-2-1-3-5-20/h1-13H,14-15H2,(H,27,28)
InChIKeyUEHUVZKPICDCFC-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.17
Rot. Bonds8

About 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid

1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid (PubChem CID 162643582) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid
PubChem CID162643582
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Name1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(C(=O)O)ccc21
InChIInChI=1S/C23H18N2O5/c26-18(14-25-22-11-6-16(23(27)28)12-17(22)13-24-25)15-29-19-7-9-21(10-8-19)30-20-4-2-1-3-5-20/h1-13H,14-15H2,(H,27,28)
InChIKeyUEHUVZKPICDCFC-UHFFFAOYSA-N
XLogP4.17
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid?
The IUPAC name of 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid (CID 162643582) is 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid is O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid?
The InChIKey is UEHUVZKPICDCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c26-18(14-25-22-11-6-16(23(27)28)12-17(22)13-24-25)15-29-19-7-9-21(10-8-19)30-20-4-2-1-3-5-20/h1-13H,14-15H2,(H,27,28).
What are the key properties of 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid?
1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid has a molecular weight of 402.41 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid is sourced from PubChem (CID 162643582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).