1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone

C17H16N2OS — CID 3572801

IUPAC1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone
SMILESCc1ccn2c(C(=O)CSc3ccccc3)c(C)nc2c1
InChIInChI=1S/C17H16N2OS/c1-12-8-9-19-16(10-12)18-13(2)17(19)15(20)11-21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyCDBQPALJQSMKSD-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.93
Rot. Bonds4

About 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone

1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone (PubChem CID 3572801) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone
PubChem CID3572801
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone
SMILESCc1ccn2c(C(=O)CSc3ccccc3)c(C)nc2c1
InChIInChI=1S/C17H16N2OS/c1-12-8-9-19-16(10-12)18-13(2)17(19)15(20)11-21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyCDBQPALJQSMKSD-UHFFFAOYSA-N
XLogP3.93
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone 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

1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
Aminoimidazo[1,2-a]pyridine deriv. 39
CID 5330636
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
2-[(3-Chlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472567
N-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 881566
[6-Ethyl-5-methyl-7-(methylthio)imidazo[1,2-a]pyrimidin-2-yl]phenylmethanone
CID 10041142
2-Phenyl-6-propylsulfanyl-imidazo[1,2-a]pyridine
CID 12004643
(5-Methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 13301027
(5-Methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301035
(7-Methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301036
(5-Methyl-7-methylsulfanyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301162
(5-Ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301164

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone (CID 3572801) is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone is Cc1ccn2c(C(=O)CSc3ccccc3)c(C)nc2c1.
What is the InChIKey of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone?
The InChIKey is CDBQPALJQSMKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-8-9-19-16(10-12)18-13(2)17(19)15(20)11-21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone?
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone has a molecular weight of 296.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 3572801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).