5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide

C22H17ClFN3O3 — CID 163234161

IUPAC5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(-c2ccc(F)c(O)c2)c2ccc(-c3ccc(O)c(Cl)c3)cc12
InChIInChI=1S/C22H17ClFN3O3/c1-26(2)22(30)21-15-9-12(13-4-8-19(28)16(23)10-13)3-7-18(15)27(25-21)14-5-6-17(24)20(29)11-14/h3-11,28-29H,1-2H3
InChIKeyHXKXCYSALADGRL-UHFFFAOYSA-N
MW425.85 g/mol
LogP4.60
Rot. Bonds3

About 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide

5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide (PubChem CID 163234161) has the molecular formula C22H17ClFN3O3 and a molecular weight of 425.85 g/mol. Its IUPAC name is 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide
PubChem CID163234161
Molecular FormulaC22H17ClFN3O3
Molecular Weight425.85 g/mol
Exact Mass425.09
IUPAC Name5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(-c2ccc(F)c(O)c2)c2ccc(-c3ccc(O)c(Cl)c3)cc12
InChIInChI=1S/C22H17ClFN3O3/c1-26(2)22(30)21-15-9-12(13-4-8-19(28)16(23)10-13)3-7-18(15)27(25-21)14-5-6-17(24)20(29)11-14/h3-11,28-29H,1-2H3
InChIKeyHXKXCYSALADGRL-UHFFFAOYSA-N
XLogP4.60
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide 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-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide?
The IUPAC name of 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide (CID 163234161) is 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide?
The canonical SMILES for 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide is CN(C)C(=O)c1nn(-c2ccc(F)c(O)c2)c2ccc(-c3ccc(O)c(Cl)c3)cc12.
What is the InChIKey of 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide?
The InChIKey is HXKXCYSALADGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O3/c1-26(2)22(30)21-15-9-12(13-4-8-19(28)16(23)10-13)3-7-18(15)27(25-21)14-5-6-17(24)20(29)11-14/h3-11,28-29H,1-2H3.
What are the key properties of 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide?
5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide has a molecular weight of 425.85 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylindazole-3-carboxamide is sourced from PubChem (CID 163234161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).