N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

C24H21BrFN3O2 — CID 53118569

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCOc1ccc(Br)cc1CNC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn12
InChIInChI=1S/C24H21BrFN3O2/c1-31-21-11-7-18(25)14-17(21)15-27-23(30)12-10-20-24(16-5-8-19(26)9-6-16)28-22-4-2-3-13-29(20)22/h2-9,11,13-14H,10,12,15H2,1H3,(H,27,30)
InChIKeySMNBDBHUERQVNA-UHFFFAOYSA-N
MW482.35 g/mol
LogP5.16
Rot. Bonds7

About N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 53118569) has the molecular formula C24H21BrFN3O2 and a molecular weight of 482.35 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID53118569
Molecular FormulaC24H21BrFN3O2
Molecular Weight482.35 g/mol
Exact Mass481.08
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCOc1ccc(Br)cc1CNC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn12
InChIInChI=1S/C24H21BrFN3O2/c1-31-21-11-7-18(25)14-17(21)15-27-23(30)12-10-20-24(16-5-8-19(26)9-6-16)28-22-4-2-3-13-29(20)22/h2-9,11,13-14H,10,12,15H2,1H3,(H,27,30)
InChIKeySMNBDBHUERQVNA-UHFFFAOYSA-N
XLogP5.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.35
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118564
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide
CID 53118553
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623
N-[[4-(dimethylamino)phenyl]methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118570
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 53118530
N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118544
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 53118599
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-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53118637
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3243551

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (CID 53118569) is N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is COc1ccc(Br)cc1CNC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn12.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is SMNBDBHUERQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrFN3O2/c1-31-21-11-7-18(25)14-17(21)15-27-23(30)12-10-20-24(16-5-8-19(26)9-6-16)28-22-4-2-3-13-29(20)22/h2-9,11,13-14H,10,12,15H2,1H3,(H,27,30).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 482.35 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 53118569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).