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

C23H19BrFN3O — CID 53118544

IUPACN-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn23)c(Br)c1
InChIInChI=1S/C23H19BrFN3O/c1-15-5-10-19(18(24)14-15)26-22(29)12-11-20-23(16-6-8-17(25)9-7-16)27-21-4-2-3-13-28(20)21/h2-10,13-14H,11-12H2,1H3,(H,26,29)
InChIKeyCFVIFNPEULTLJY-UHFFFAOYSA-N
MW452.33 g/mol
LogP5.78
Rot. Bonds5

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

N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 53118544) has the molecular formula C23H19BrFN3O and a molecular weight of 452.33 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID53118544
Molecular FormulaC23H19BrFN3O
Molecular Weight452.33 g/mol
Exact Mass451.07
IUPAC NameN-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn23)c(Br)c1
InChIInChI=1S/C23H19BrFN3O/c1-15-5-10-19(18(24)14-15)26-22(29)12-11-20-23(16-6-8-17(25)9-7-16)27-21-4-2-3-13-28(20)21/h2-10,13-14H,11-12H2,1H3,(H,26,29)
InChIKeyCFVIFNPEULTLJY-UHFFFAOYSA-N
XLogP5.78
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.33
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036593
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide
CID 53118621
N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036587
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
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-fluorophenyl)propanamide
CID 53036649
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118569
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide
CID 53118553
N-(4-fluorophenyl)-3-[6-(3-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 83288500
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118564
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (CID 53118544) is N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is Cc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is CFVIFNPEULTLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN3O/c1-15-5-10-19(18(24)14-15)26-22(29)12-11-20-23(16-6-8-17(25)9-7-16)27-21-4-2-3-13-28(20)21/h2-10,13-14H,11-12H2,1H3,(H,26,29).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 452.33 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 53118544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).