N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

C24H22BrN3O — CID 53036587

IUPACN-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C24H22BrN3O/c1-16-6-8-18(9-7-16)24-21(28-14-4-3-5-22(28)27-24)12-13-23(29)26-19-10-11-20(25)17(2)15-19/h3-11,14-15H,12-13H2,1-2H3,(H,26,29)
InChIKeyXNAXKQYJPKYKAS-UHFFFAOYSA-N
MW448.36 g/mol
LogP5.95
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 53036587) has the molecular formula C24H22BrN3O and a molecular weight of 448.36 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID53036587
Molecular FormulaC24H22BrN3O
Molecular Weight448.36 g/mol
Exact Mass447.09
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C24H22BrN3O/c1-16-6-8-18(9-7-16)24-21(28-14-4-3-5-22(28)27-24)12-13-23(29)26-19-10-11-20(25)17(2)15-19/h3-11,14-15H,12-13H2,1-2H3,(H,26,29)
InChIKeyXNAXKQYJPKYKAS-UHFFFAOYSA-N
XLogP5.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118544
N-(5-chloro-2-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036573
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-fluorophenyl)propanamide
CID 53036649
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 53118530
N-(4-ethylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036519
N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036593
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53036597
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide
CID 53118621
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84569535
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-fluorophenyl)propanamide
CID 20974346
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (CID 53036587) is N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is XNAXKQYJPKYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O/c1-16-6-8-18(9-7-16)24-21(28-14-4-3-5-22(28)27-24)12-13-23(29)26-19-10-11-20(25)17(2)15-19/h3-11,14-15H,12-13H2,1-2H3,(H,26,29).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 448.36 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 53036587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).