1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole

C13H11ClN4 — CID 63730381

IUPAC1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole
SMILESCc1nc(Cl)c(C)c(-n2ncc3ccccc32)n1
InChIInChI=1S/C13H11ClN4/c1-8-12(14)16-9(2)17-13(8)18-11-6-4-3-5-10(11)7-15-18/h3-7H,1-2H3
InChIKeyMCMRRYKXGVNYQC-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.09
Rot. Bonds1

About 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole

1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole (PubChem CID 63730381) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole.

Molecular Properties

Compound Name1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole
PubChem CID63730381
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole
SMILESCc1nc(Cl)c(C)c(-n2ncc3ccccc32)n1
InChIInChI=1S/C13H11ClN4/c1-8-12(14)16-9(2)17-13(8)18-11-6-4-3-5-10(11)7-15-18/h3-7H,1-2H3
InChIKeyMCMRRYKXGVNYQC-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole 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 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole?
The IUPAC name of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole (CID 63730381) is 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole.
What is the SMILES notation for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole?
The canonical SMILES for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole is Cc1nc(Cl)c(C)c(-n2ncc3ccccc32)n1.
What is the InChIKey of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole?
The InChIKey is MCMRRYKXGVNYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-12(14)16-9(2)17-13(8)18-11-6-4-3-5-10(11)7-15-18/h3-7H,1-2H3.
What are the key properties of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole?
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole has a molecular weight of 258.71 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole is sourced from PubChem (CID 63730381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).