3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole

C15H12Cl2N4O — CID 166568233

IUPAC3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole
SMILESC=C(C)Cn1nc(Cl)c2cccc(Oc3ncc(Cl)cn3)c21
InChIInChI=1S/C15H12Cl2N4O/c1-9(2)8-21-13-11(14(17)20-21)4-3-5-12(13)22-15-18-6-10(16)7-19-15/h3-7H,1,8H2,2H3
InChIKeyDXLBQCMAADGBEO-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.50
Rot. Bonds4

About 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole

3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole (PubChem CID 166568233) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole.

Molecular Properties

Compound Name3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole
PubChem CID166568233
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole
SMILESC=C(C)Cn1nc(Cl)c2cccc(Oc3ncc(Cl)cn3)c21
InChIInChI=1S/C15H12Cl2N4O/c1-9(2)8-21-13-11(14(17)20-21)4-3-5-12(13)22-15-18-6-10(16)7-19-15/h3-7H,1,8H2,2H3
InChIKeyDXLBQCMAADGBEO-UHFFFAOYSA-N
XLogP4.50
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole?
The IUPAC name of 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole (CID 166568233) is 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole.
What is the SMILES notation for 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole?
The canonical SMILES for 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole is C=C(C)Cn1nc(Cl)c2cccc(Oc3ncc(Cl)cn3)c21.
What is the InChIKey of 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole?
The InChIKey is DXLBQCMAADGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-9(2)8-21-13-11(14(17)20-21)4-3-5-12(13)22-15-18-6-10(16)7-19-15/h3-7H,1,8H2,2H3.
What are the key properties of 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole?
3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole has a molecular weight of 335.19 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(5-chloropyrimidin-2-yl)oxy-1-(2-methylprop-2-enyl)indazole is sourced from PubChem (CID 166568233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).