N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide

C25H25ClN4O — CID 3197681

IUPACN-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
SMILESCCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-8-6-5-7-9-19)17(2)27-24(22)30(23)16-18-11-13-20(26)14-12-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31)
InChIKeyAJOJJPWIIJFJKX-UHFFFAOYSA-N
MW432.96 g/mol
LogP6.04
Rot. Bonds7

About N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide

N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide (PubChem CID 3197681) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
PubChem CID3197681
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC NameN-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
SMILESCCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-8-6-5-7-9-19)17(2)27-24(22)30(23)16-18-11-13-20(26)14-12-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31)
InChIKeyAJOJJPWIIJFJKX-UHFFFAOYSA-N
XLogP6.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
CID 3205882
N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197690
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
CID 3205884
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
CID 3205877
1-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3197696
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
CID 3212345
1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212358
tert-butyl N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]carbamate
CID 3205871
3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 1434264
N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide
CID 3212401

Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide?
The IUPAC name of N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide (CID 3197681) is N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide.
What is the SMILES notation for N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide?
The canonical SMILES for N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide is CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide?
The InChIKey is AJOJJPWIIJFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-8-6-5-7-9-19)17(2)27-24(22)30(23)16-18-11-13-20(26)14-12-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31).
What are the key properties of N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide?
N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide has a molecular weight of 432.96 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide is sourced from PubChem (CID 3197681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).