6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

C25H23N3S — CID 44589032

IUPAC6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-n2ccc3ccccc32)cn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C25H23N3S/c1-19-15-22(27-13-11-21-9-5-6-10-24(21)27)17-28-23(16-26-25(19)28)18-29-14-12-20-7-3-2-4-8-20/h2-11,13,15-17H,12,14,18H2,1H3
InChIKeyGFBFHWZZNZDKSH-UHFFFAOYSA-N
MW397.55 g/mol
LogP6.06
Rot. Bonds6

About 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 44589032) has the molecular formula C25H23N3S and a molecular weight of 397.55 g/mol. Its IUPAC name is 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID44589032
Molecular FormulaC25H23N3S
Molecular Weight397.55 g/mol
Exact Mass397.16
IUPAC Name6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-n2ccc3ccccc32)cn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C25H23N3S/c1-19-15-22(27-13-11-21-9-5-6-10-24(21)27)17-28-23(16-26-25(19)28)18-29-14-12-20-7-3-2-4-8-20/h2-11,13,15-17H,12,14,18H2,1H3
InChIKeyGFBFHWZZNZDKSH-UHFFFAOYSA-N
XLogP6.06
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.55
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 44589032) is 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cc(-n2ccc3ccccc32)cn2c(CSCCc3ccccc3)cnc12.
What is the InChIKey of 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is GFBFHWZZNZDKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3S/c1-19-15-22(27-13-11-21-9-5-6-10-24(21)27)17-28-23(16-26-25(19)28)18-29-14-12-20-7-3-2-4-8-20/h2-11,13,15-17H,12,14,18H2,1H3.
What are the key properties of 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 397.55 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indol-1-yl-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 44589032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).