N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide

C22H20BrN3O2S — CID 25405951

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
SMILESO=C(CCSCc1cn2ccccc2n1)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C22H20BrN3O2S/c23-17-6-4-16(5-7-17)20-9-8-19(28-20)13-24-22(27)10-12-29-15-18-14-26-11-2-1-3-21(26)25-18/h1-9,11,14H,10,12-13,15H2,(H,24,27)
InChIKeyDBYTWFZPAMZCSC-UHFFFAOYSA-N
MW470.39 g/mol
LogP5.30
Rot. Bonds8

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide (PubChem CID 25405951) has the molecular formula C22H20BrN3O2S and a molecular weight of 470.39 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
PubChem CID25405951
Molecular FormulaC22H20BrN3O2S
Molecular Weight470.39 g/mol
Exact Mass469.05
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
SMILESO=C(CCSCc1cn2ccccc2n1)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C22H20BrN3O2S/c23-17-6-4-16(5-7-17)20-9-8-19(28-20)13-24-22(27)10-12-29-15-18-14-26-11-2-1-3-21(26)25-18/h1-9,11,14H,10,12-13,15H2,(H,24,27)
InChIKeyDBYTWFZPAMZCSC-UHFFFAOYSA-N
XLogP5.30
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
CID 18152499
3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 25330826
3-(1,3-dioxoisoindol-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanamide
CID 8917053
3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 18268026
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014209
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24591360
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 17441492

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide (CID 25405951) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide is O=C(CCSCc1cn2ccccc2n1)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide?
The InChIKey is DBYTWFZPAMZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2S/c23-17-6-4-16(5-7-17)20-9-8-19(28-20)13-24-22(27)10-12-29-15-18-14-26-11-2-1-3-21(26)25-18/h1-9,11,14H,10,12-13,15H2,(H,24,27).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide has a molecular weight of 470.39 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 25405951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).