4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

C25H26ClN5O — CID 59148927

IUPAC4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCc4cccc(Cl)c4)cn23)cc1
InChIInChI=1S/C25H26ClN5O/c1-30(2)13-12-27-25(32)20-8-6-19(7-9-20)23-16-29-24-11-10-22(17-31(23)24)28-15-18-4-3-5-21(26)14-18/h3-11,14,16-17,28H,12-13,15H2,1-2H3,(H,27,32)
InChIKeyBVILQYYPKUHIQP-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.56
Rot. Bonds8

About 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 59148927) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID59148927
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCc4cccc(Cl)c4)cn23)cc1
InChIInChI=1S/C25H26ClN5O/c1-30(2)13-12-27-25(32)20-8-6-19(7-9-20)23-16-29-24-11-10-22(17-31(23)24)28-15-18-4-3-5-21(26)14-18/h3-11,14,16-17,28H,12-13,15H2,1-2H3,(H,27,32)
InChIKeyBVILQYYPKUHIQP-UHFFFAOYSA-N
XLogP4.56
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-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-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 59148927) is 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCc4cccc(Cl)c4)cn23)cc1.
What is the InChIKey of 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is BVILQYYPKUHIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-30(2)13-12-27-25(32)20-8-6-19(7-9-20)23-16-29-24-11-10-22(17-31(23)24)28-15-18-4-3-5-21(26)14-18/h3-11,14,16-17,28H,12-13,15H2,1-2H3,(H,27,32).
What are the key properties of 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 447.97 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 59148927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).