(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate

C21H18ClN3O4S — CID 41492662

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
SMILESCSCC[C@@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H18ClN3O4S/c1-30-9-8-17(25-19(26)15-4-2-3-5-16(15)20(25)27)21(28)29-12-14-11-24-10-13(22)6-7-18(24)23-14/h2-7,10-11,17H,8-9,12H2,1H3/t17-/m0/s1
InChIKeyQZDTXGJBAAOYJZ-KRWDZBQOSA-N
MW443.91 g/mol
LogP3.45
Rot. Bonds7

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate (PubChem CID 41492662) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
PubChem CID41492662
Molecular FormulaC21H18ClN3O4S
Molecular Weight443.91 g/mol
Exact Mass443.07
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
SMILESCSCC[C@@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H18ClN3O4S/c1-30-9-8-17(25-19(26)15-4-2-3-5-16(15)20(25)27)21(28)29-12-14-11-24-10-13(22)6-7-18(24)23-14/h2-7,10-11,17H,8-9,12H2,1H3/t17-/m0/s1
InChIKeyQZDTXGJBAAOYJZ-KRWDZBQOSA-N
XLogP3.45
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate 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-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate (CID 41492662) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate is CSCC[C@@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The InChIKey is QZDTXGJBAAOYJZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c1-30-9-8-17(25-19(26)15-4-2-3-5-16(15)20(25)27)21(28)29-12-14-11-24-10-13(22)6-7-18(24)23-14/h2-7,10-11,17H,8-9,12H2,1H3/t17-/m0/s1.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate has a molecular weight of 443.91 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate is sourced from PubChem (CID 41492662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).