2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone

C20H23N5OS — CID 120729860

IUPAC2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESCc1ccc2nc(CSCC(=O)N3CCNCC3c3cccnc3)cn2c1
InChIInChI=1S/C20H23N5OS/c1-15-4-5-19-23-17(12-24(19)11-15)13-27-14-20(26)25-8-7-22-10-18(25)16-3-2-6-21-9-16/h2-6,9,11-12,18,22H,7-8,10,13-14H2,1H3
InChIKeyVUSCJAKWNGVCSQ-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.44
Rot. Bonds5

About 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (PubChem CID 120729860) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
PubChem CID120729860
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESCc1ccc2nc(CSCC(=O)N3CCNCC3c3cccnc3)cn2c1
InChIInChI=1S/C20H23N5OS/c1-15-4-5-19-23-17(12-24(19)11-15)13-27-14-20(26)25-8-7-22-10-18(25)16-3-2-6-21-9-16/h2-6,9,11-12,18,22H,7-8,10,13-14H2,1H3
InChIKeyVUSCJAKWNGVCSQ-UHFFFAOYSA-N
XLogP2.44
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone 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-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
CID 120736168
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone;dihydrochloride
CID 120736167
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120877465
1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
CID 120730674
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
3-(4-methylphenyl)sulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731732
3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide
CID 120730434
7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 120732049
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119427592
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (CID 120729860) is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is Cc1ccc2nc(CSCC(=O)N3CCNCC3c3cccnc3)cn2c1.
What is the InChIKey of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is VUSCJAKWNGVCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15-4-5-19-23-17(12-24(19)11-15)13-27-14-20(26)25-8-7-22-10-18(25)16-3-2-6-21-9-16/h2-6,9,11-12,18,22H,7-8,10,13-14H2,1H3.
What are the key properties of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 381.51 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120729860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).