4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

C24H24ClN5O — CID 10310219

IUPAC4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)cc1
InChIInChI=1S/C24H24ClN5O/c1-30(2)14-13-26-24(31)17-9-7-16(8-10-17)23-19-12-11-18(15-22(19)28-29-23)27-21-6-4-3-5-20(21)25/h3-12,15,27H,13-14H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyWPHLFVIDUSHWHQ-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.92
Rot. Bonds7

About 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 10310219) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID10310219
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)cc1
InChIInChI=1S/C24H24ClN5O/c1-30(2)14-13-26-24(31)17-9-7-16(8-10-17)23-19-12-11-18(15-22(19)28-29-23)27-21-6-4-3-5-20(21)25/h3-12,15,27H,13-14H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyWPHLFVIDUSHWHQ-UHFFFAOYSA-N
XLogP4.92
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide 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 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 10310219) is 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)cc1.
What is the InChIKey of 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is WPHLFVIDUSHWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-30(2)14-13-26-24(31)17-9-7-16(8-10-17)23-19-12-11-18(15-22(19)28-29-23)27-21-6-4-3-5-20(21)25/h3-12,15,27H,13-14H2,1-2H3,(H,26,31)(H,28,29).
What are the key properties of 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 10310219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).