6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

C25H23N3S — CID 44588981

IUPAC6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccc3[nH]ccc3c2)cn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C25H23N3S/c1-18-13-22(20-7-8-24-21(14-20)9-11-26-24)16-28-23(15-27-25(18)28)17-29-12-10-19-5-3-2-4-6-19/h2-9,11,13-16,26H,10,12,17H2,1H3
InChIKeyZGPILEBWPXEKSQ-UHFFFAOYSA-N
MW397.55 g/mol
LogP6.27
Rot. Bonds6

About 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 44588981) has the molecular formula C25H23N3S and a molecular weight of 397.55 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID44588981
Molecular FormulaC25H23N3S
Molecular Weight397.55 g/mol
Exact Mass397.16
IUPAC Name6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccc3[nH]ccc3c2)cn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C25H23N3S/c1-18-13-22(20-7-8-24-21(14-20)9-11-26-24)16-28-23(15-27-25(18)28)17-29-12-10-19-5-3-2-4-6-19/h2-9,11,13-16,26H,10,12,17H2,1H3
InChIKeyZGPILEBWPXEKSQ-UHFFFAOYSA-N
XLogP6.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.55
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 44588981) is 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cc(-c2ccc3[nH]ccc3c2)cn2c(CSCCc3ccccc3)cnc12.
What is the InChIKey of 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is ZGPILEBWPXEKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3S/c1-18-13-22(20-7-8-24-21(14-20)9-11-26-24)16-28-23(15-27-25(18)28)17-29-12-10-19-5-3-2-4-6-19/h2-9,11,13-16,26H,10,12,17H2,1H3.
What are the key properties of 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 397.55 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 44588981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).