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

C16H19FN2O3 — CID 123684623

IUPAC6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid
SMILESCCCC1CC(Cn2nc(C(=O)O)c3ccc(F)cc32)CO1
InChIInChI=1S/C16H19FN2O3/c1-2-3-12-6-10(9-22-12)8-19-14-7-11(17)4-5-13(14)15(18-19)16(20)21/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,20,21)
InChIKeyGOCZYNPVCGZXJK-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.08
Rot. Bonds5

About 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid

6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid (PubChem CID 123684623) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid
PubChem CID123684623
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid
SMILESCCCC1CC(Cn2nc(C(=O)O)c3ccc(F)cc32)CO1
InChIInChI=1S/C16H19FN2O3/c1-2-3-12-6-10(9-22-12)8-19-14-7-11(17)4-5-13(14)15(18-19)16(20)21/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,20,21)
InChIKeyGOCZYNPVCGZXJK-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

Analyze 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mfubinac
CID 58124744
Apinac
CID 129532609
(1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-methyl-1Hindazole-3-carboxylate
CID 11522273
Ethyl 4-[1-[(2-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 23120782
1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid
CID 206430
1H-Indazole-3-carboxylic acid, 1-methyl-
CID 689105
Methyl 1-methyl-1H-indazole-3-carboxylate
CID 13900574
Xinidamine
CID 68675
Ethyl 4-[1-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 44451675
Ethyl 4-[1-[(3-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 44451701
Ethyl 1-butanoylindazole-3-carboxylate
CID 53357865
Ethyl 1-(cyclopentanecarbonyl)indazole-3-carboxylate
CID 56666607

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid (CID 123684623) is 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid is CCCC1CC(Cn2nc(C(=O)O)c3ccc(F)cc32)CO1.
What is the InChIKey of 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid?
The InChIKey is GOCZYNPVCGZXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-2-3-12-6-10(9-22-12)8-19-14-7-11(17)4-5-13(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 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid?
6-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 6-fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 123684623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).