N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide

C18H18FN3OS — CID 18152499

IUPACN-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
SMILESO=C(CCSCc1cn2ccccc2n1)NCc1ccccc1F
InChIInChI=1S/C18H18FN3OS/c19-16-6-2-1-5-14(16)11-20-18(23)8-10-24-13-15-12-22-9-4-3-7-17(22)21-15/h1-7,9,12H,8,10-11,13H2,(H,20,23)
InChIKeyQHJPCDIFFVZXGF-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.41
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide

N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide (PubChem CID 18152499) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
PubChem CID18152499
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
SMILESO=C(CCSCc1cn2ccccc2n1)NCc1ccccc1F
InChIInChI=1S/C18H18FN3OS/c19-16-6-2-1-5-14(16)11-20-18(23)8-10-24-13-15-12-22-9-4-3-7-17(22)21-15/h1-7,9,12H,8,10-11,13H2,(H,20,23)
InChIKeyQHJPCDIFFVZXGF-UHFFFAOYSA-N
XLogP3.41
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-fluorophenyl)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]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
CID 25405951
3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 25330826
N-[2-(2,6-difluorophenyl)ethyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 87006920
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
2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine
CID 84603021
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
CID 80554638
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
1-(2,5-difluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 63030565

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide (CID 18152499) is N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide is O=C(CCSCc1cn2ccccc2n1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide?
The InChIKey is QHJPCDIFFVZXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-16-6-2-1-5-14(16)11-20-18(23)8-10-24-13-15-12-22-9-4-3-7-17(22)21-15/h1-7,9,12H,8,10-11,13H2,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 18152499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).