5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid

C18H16F2N2O3 — CID 57418763

IUPAC5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)O)cc21
InChIInChI=1S/C18H16F2N2O3/c1-10(2)9-22-15-7-13(18(23)24)17(5-11(15)8-21-22)25-16-4-3-12(19)6-14(16)20/h3-8,10H,9H2,1-2H3,(H,23,24)
InChIKeyTUZOCZLOGNNTQE-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.46
Rot. Bonds5

About 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid

5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid (PubChem CID 57418763) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid
PubChem CID57418763
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)O)cc21
InChIInChI=1S/C18H16F2N2O3/c1-10(2)9-22-15-7-13(18(23)24)17(5-11(15)8-21-22)25-16-4-3-12(19)6-14(16)20/h3-8,10H,9H2,1-2H3,(H,23,24)
InChIKeyTUZOCZLOGNNTQE-UHFFFAOYSA-N
XLogP4.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid?
The IUPAC name of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid (CID 57418763) is 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid?
The canonical SMILES for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)O)cc21.
What is the InChIKey of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid?
The InChIKey is TUZOCZLOGNNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-10(2)9-22-15-7-13(18(23)24)17(5-11(15)8-21-22)25-16-4-3-12(19)6-14(16)20/h3-8,10H,9H2,1-2H3,(H,23,24).
What are the key properties of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid?
5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid has a molecular weight of 346.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid is sourced from PubChem (CID 57418763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).