5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole

C15H21BrN2O2 — CID 155438553

IUPAC5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole
SMILESCOCCC(C)n1cc2cc(Br)c(OC(C)C)cc2n1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)20-15-8-14-12(7-13(15)16)9-18(17-14)11(3)5-6-19-4/h7-11H,5-6H2,1-4H3
InChIKeyWYEQOMPHSGRLBC-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.18
Rot. Bonds6

About 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole

5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole (PubChem CID 155438553) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole.

Molecular Properties

Compound Name5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole
PubChem CID155438553
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole
SMILESCOCCC(C)n1cc2cc(Br)c(OC(C)C)cc2n1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)20-15-8-14-12(7-13(15)16)9-18(17-14)11(3)5-6-19-4/h7-11H,5-6H2,1-4H3
InChIKeyWYEQOMPHSGRLBC-UHFFFAOYSA-N
XLogP4.18
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole?
The IUPAC name of 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole (CID 155438553) is 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole.
What is the SMILES notation for 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole?
The canonical SMILES for 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole is COCCC(C)n1cc2cc(Br)c(OC(C)C)cc2n1.
What is the InChIKey of 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole?
The InChIKey is WYEQOMPHSGRLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)20-15-8-14-12(7-13(15)16)9-18(17-14)11(3)5-6-19-4/h7-11H,5-6H2,1-4H3.
What are the key properties of 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole?
5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole has a molecular weight of 341.25 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole is sourced from PubChem (CID 155438553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).