6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

C22H28N4S — CID 44588596

IUPAC6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(N2CCN(C)CC2)c2ncc(CSCCc3ccccc3)n2c1
InChIInChI=1S/C22H28N4S/c1-18-14-21(25-11-9-24(2)10-12-25)22-23-15-20(26(22)16-18)17-27-13-8-19-6-4-3-5-7-19/h3-7,14-16H,8-13,17H2,1-2H3
InChIKeySVTMTDJOYLZCQN-UHFFFAOYSA-N
MW380.56 g/mol
LogP3.87
Rot. Bonds6

About 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 44588596) has the molecular formula C22H28N4S and a molecular weight of 380.56 g/mol. Its IUPAC name is 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID44588596
Molecular FormulaC22H28N4S
Molecular Weight380.56 g/mol
Exact Mass380.20
IUPAC Name6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(N2CCN(C)CC2)c2ncc(CSCCc3ccccc3)n2c1
InChIInChI=1S/C22H28N4S/c1-18-14-21(25-11-9-24(2)10-12-25)22-23-15-20(26(22)16-18)17-27-13-8-19-6-4-3-5-7-19/h3-7,14-16H,8-13,17H2,1-2H3
InChIKeySVTMTDJOYLZCQN-UHFFFAOYSA-N
XLogP3.87
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 44588596) is 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cc(N2CCN(C)CC2)c2ncc(CSCCc3ccccc3)n2c1.
What is the InChIKey of 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is SVTMTDJOYLZCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4S/c1-18-14-21(25-11-9-24(2)10-12-25)22-23-15-20(26(22)16-18)17-27-13-8-19-6-4-3-5-7-19/h3-7,14-16H,8-13,17H2,1-2H3.
What are the key properties of 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 380.56 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(4-methylpiperazin-1-yl)-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 44588596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).