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

C22H24BrN3O — CID 53036661

IUPAC3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide
SMILESO=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn12)NC1CCCCC1
InChIInChI=1S/C22H24BrN3O/c23-17-11-9-16(10-12-17)22-19(26-15-5-4-8-20(26)25-22)13-14-21(27)24-18-6-2-1-3-7-18/h4-5,8-12,15,18H,1-3,6-7,13-14H2,(H,24,27)
InChIKeyWKJGDJBWABUUKA-UHFFFAOYSA-N
MW426.36 g/mol
LogP5.15
Rot. Bonds5

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

3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide (PubChem CID 53036661) has the molecular formula C22H24BrN3O and a molecular weight of 426.36 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide
PubChem CID53036661
Molecular FormulaC22H24BrN3O
Molecular Weight426.36 g/mol
Exact Mass425.11
IUPAC Name3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide
SMILESO=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn12)NC1CCCCC1
InChIInChI=1S/C22H24BrN3O/c23-17-11-9-16(10-12-17)22-19(26-15-5-4-8-20(26)25-22)13-14-21(27)24-18-6-2-1-3-7-18/h4-5,8-12,15,18H,1-3,6-7,13-14H2,(H,24,27)
InChIKeyWKJGDJBWABUUKA-UHFFFAOYSA-N
XLogP5.15
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.36
LogP ≤ 55.15
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-(4-phenylbutan-2-yl)propanamide
CID 53118637
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-fluorophenyl)propanamide
CID 53036649
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide
CID 53118621
N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 83289973
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-cyclohexyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203756
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118569
N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036587
1-cyclopentyl-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 50847510
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118544
3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 39195795
3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropylpropanamide
CID 83289107

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide (CID 53036661) is 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide is O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn12)NC1CCCCC1.
What is the InChIKey of 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide?
The InChIKey is WKJGDJBWABUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O/c23-17-11-9-16(10-12-17)22-19(26-15-5-4-8-20(26)25-22)13-14-21(27)24-18-6-2-1-3-7-18/h4-5,8-12,15,18H,1-3,6-7,13-14H2,(H,24,27).
What are the key properties of 3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide?
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide has a molecular weight of 426.36 g/mol, XLogP of 5.15, 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-cyclohexylpropanamide is sourced from PubChem (CID 53036661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).