5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid

C16H19FN2O3 — CID 123178100

IUPAC5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid
SMILESCCCC1CC(Cn2nc(C(=O)O)c3cc(F)ccc32)CO1
InChIInChI=1S/C16H19FN2O3/c1-2-3-12-6-10(9-22-12)8-19-14-5-4-11(17)7-13(14)15(18-19)16(20)21/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,20,21)
InChIKeyDELGKNDMKUEXGL-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.08
Rot. Bonds5

About 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid

5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid (PubChem CID 123178100) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid
PubChem CID123178100
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid
SMILESCCCC1CC(Cn2nc(C(=O)O)c3cc(F)ccc32)CO1
InChIInChI=1S/C16H19FN2O3/c1-2-3-12-6-10(9-22-12)8-19-14-5-4-11(17)7-13(14)15(18-19)16(20)21/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,20,21)
InChIKeyDELGKNDMKUEXGL-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Ethyl 4-[1-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 44451675
Ethyl 4-[1-[(3-fluorophenyl)methyl]indazol-3-yl]benzoate
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid (CID 123178100) is 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid is CCCC1CC(Cn2nc(C(=O)O)c3cc(F)ccc32)CO1.
What is the InChIKey of 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid?
The InChIKey is DELGKNDMKUEXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-2-3-12-6-10(9-22-12)8-19-14-5-4-11(17)7-13(14)15(18-19)16(20)21/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,20,21).
What are the key properties of 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid?
5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 123178100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).