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

C22H16BrF2N3O — CID 53118621

IUPAC3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide
SMILESO=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn12)Nc1ccc(F)cc1F
InChIInChI=1S/C22H16BrF2N3O/c23-15-6-4-14(5-7-15)22-19(28-12-2-1-3-20(28)27-22)10-11-21(29)26-18-9-8-16(24)13-17(18)25/h1-9,12-13H,10-11H2,(H,26,29)
InChIKeyBXGDTLZOPDKNGC-UHFFFAOYSA-N
MW456.29 g/mol
LogP5.61
Rot. Bonds5

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

3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide (PubChem CID 53118621) has the molecular formula C22H16BrF2N3O and a molecular weight of 456.29 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide
PubChem CID53118621
Molecular FormulaC22H16BrF2N3O
Molecular Weight456.29 g/mol
Exact Mass455.04
IUPAC Name3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide
SMILESO=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn12)Nc1ccc(F)cc1F
InChIInChI=1S/C22H16BrF2N3O/c23-15-6-4-14(5-7-15)22-19(28-12-2-1-3-20(28)27-22)10-11-21(29)26-18-9-8-16(24)13-17(18)25/h1-9,12-13H,10-11H2,(H,26,29)
InChIKeyBXGDTLZOPDKNGC-UHFFFAOYSA-N
XLogP5.61
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.29
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-fluorophenyl)propanamide
CID 53036649
N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118544
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-fluorophenyl)propanamide
CID 20974346
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 53118530
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118569
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-[2-(trifluoromethyl)phenyl]propanamide
CID 53036596
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-cyclohexylpropanamide
CID 53036661
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide (CID 53118621) is 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide is O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn12)Nc1ccc(F)cc1F.
What is the InChIKey of 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is BXGDTLZOPDKNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF2N3O/c23-15-6-4-14(5-7-15)22-19(28-12-2-1-3-20(28)27-22)10-11-21(29)26-18-9-8-16(24)13-17(18)25/h1-9,12-13H,10-11H2,(H,26,29).
What are the key properties of 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide?
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 456.29 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 53118621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).