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

C25H26ClN5O — CID 10151516

IUPAC3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
InChIInChI=1S/C25H26ClN5O/c1-31(2)14-6-13-27-25(32)18-8-5-7-17(15-18)24-20-12-11-19(16-23(20)29-30-24)28-22-10-4-3-9-21(22)26/h3-5,7-12,15-16,28H,6,13-14H2,1-2H3,(H,27,32)(H,29,30)
InChIKeyCPWJZTWDEOBMPS-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.31
Rot. Bonds8

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

3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 10151516) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide
PubChem CID10151516
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
InChIInChI=1S/C25H26ClN5O/c1-31(2)14-6-13-27-25(32)18-8-5-7-17(15-18)24-20-12-11-19(16-23(20)29-30-24)28-22-10-4-3-9-21(22)26/h3-5,7-12,15-16,28H,6,13-14H2,1-2H3,(H,27,32)(H,29,30)
InChIKeyCPWJZTWDEOBMPS-UHFFFAOYSA-N
XLogP5.31
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]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 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide (CID 10151516) is 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1.
What is the InChIKey of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is CPWJZTWDEOBMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-31(2)14-6-13-27-25(32)18-8-5-7-17(15-18)24-20-12-11-19(16-23(20)29-30-24)28-22-10-4-3-9-21(22)26/h3-5,7-12,15-16,28H,6,13-14H2,1-2H3,(H,27,32)(H,29,30).
What are the key properties of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide?
3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 447.97 g/mol, XLogP of 5.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 10151516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).