2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid

C17H24N2O3 — CID 175951901

IUPAC2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid
SMILESCCCC(CC)n1cc2cc(C(=O)O)c(OC(C)C)cc2n1
InChIInChI=1S/C17H24N2O3/c1-5-7-13(6-2)19-10-12-8-14(17(20)21)16(22-11(3)4)9-15(12)18-19/h8-11,13H,5-7H2,1-4H3,(H,20,21)
InChIKeyIELUHRAXLODEPO-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.27
Rot. Bonds7

About 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid

2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid (PubChem CID 175951901) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid.

Molecular Properties

Compound Name2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid
PubChem CID175951901
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid
SMILESCCCC(CC)n1cc2cc(C(=O)O)c(OC(C)C)cc2n1
InChIInChI=1S/C17H24N2O3/c1-5-7-13(6-2)19-10-12-8-14(17(20)21)16(22-11(3)4)9-15(12)18-19/h8-11,13H,5-7H2,1-4H3,(H,20,21)
InChIKeyIELUHRAXLODEPO-UHFFFAOYSA-N
XLogP4.27
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-5-carboxylic acid
CID 44138105
1-[2-Oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid
CID 162643582
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781
6-Methoxy-1H-indazole-5-carboxylic acid
CID 53399334
N-(1-methyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 177372733
Benzydamine salicylate
CID 173701
2-[3-(Trifluoromethoxy)phenyl]indazole-5-carboxylic acid
CID 59625824
1-[3-(Trifluoromethoxy)phenyl]indazole-5-carboxylic acid
CID 59625943
3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylic acid
CID 59797335
ethyl 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate
CID 59797388
Methyl 2-(1-acetyl-1h-indazol-4-yloxy)-4-fluorobenzoate
CID 67226405
Methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate
CID 67226978

Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid?
The IUPAC name of 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid (CID 175951901) is 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid.
What is the SMILES notation for 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid?
The canonical SMILES for 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid is CCCC(CC)n1cc2cc(C(=O)O)c(OC(C)C)cc2n1.
What is the InChIKey of 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid?
The InChIKey is IELUHRAXLODEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-7-13(6-2)19-10-12-8-14(17(20)21)16(22-11(3)4)9-15(12)18-19/h8-11,13H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid?
2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid is sourced from PubChem (CID 175951901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).