5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole

C17H11ClN4 — CID 141192879

IUPAC5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole
SMILESClc1cccc(-c2cc(-c3ccc4[nH]ncc4c3)ncn2)c1
InChIInChI=1S/C17H11ClN4/c18-14-3-1-2-11(7-14)16-8-17(20-10-19-16)12-4-5-15-13(6-12)9-21-22-15/h1-10H,(H,21,22)
InChIKeyACFYJNRHXMGCSK-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.34
Rot. Bonds2

About 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole

5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole (PubChem CID 141192879) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole
PubChem CID141192879
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole
SMILESClc1cccc(-c2cc(-c3ccc4[nH]ncc4c3)ncn2)c1
InChIInChI=1S/C17H11ClN4/c18-14-3-1-2-11(7-14)16-8-17(20-10-19-16)12-4-5-15-13(6-12)9-21-22-15/h1-10H,(H,21,22)
InChIKeyACFYJNRHXMGCSK-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-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 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole (CID 141192879) is 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole is Clc1cccc(-c2cc(-c3ccc4[nH]ncc4c3)ncn2)c1.
What is the InChIKey of 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole?
The InChIKey is ACFYJNRHXMGCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-14-3-1-2-11(7-14)16-8-17(20-10-19-16)12-4-5-15-13(6-12)9-21-22-15/h1-10H,(H,21,22).
What are the key properties of 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole?
5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole has a molecular weight of 306.76 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 141192879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).