(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate

C21H21Cl2N3O3S — CID 55473645

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
SMILESCSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1cn2cccc(C)c2n1
InChIInChI=1S/C21H21Cl2N3O3S/c1-13-4-3-8-26-11-15(24-19(13)26)12-29-21(28)18(7-9-30-2)25-20(27)16-6-5-14(22)10-17(16)23/h3-6,8,10-11,18H,7,9,12H2,1-2H3,(H,25,27)
InChIKeyCYGMVLSFBCIGGK-UHFFFAOYSA-N
MW466.39 g/mol
LogP4.54
Rot. Bonds8

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate (PubChem CID 55473645) has the molecular formula C21H21Cl2N3O3S and a molecular weight of 466.39 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
PubChem CID55473645
Molecular FormulaC21H21Cl2N3O3S
Molecular Weight466.39 g/mol
Exact Mass465.07
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
SMILESCSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1cn2cccc(C)c2n1
InChIInChI=1S/C21H21Cl2N3O3S/c1-13-4-3-8-26-11-15(24-19(13)26)12-29-21(28)18(7-9-30-2)25-20(27)16-6-5-14(22)10-17(16)23/h3-6,8,10-11,18H,7,9,12H2,1-2H3,(H,25,27)
InChIKeyCYGMVLSFBCIGGK-UHFFFAOYSA-N
XLogP4.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate with MolForge

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Related Compounds

(2,3-difluorophenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 55443592
2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55518714
[2-(methylamino)-2-oxoethyl] (2S)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982774
cyanomethyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982784
(3,3-dimethyl-2-oxobutyl) (2S)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982790
[3-(trifluoromethyl)phenyl]methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 55324424
(4-nitrophenyl)methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 2493644
2,4-dichloro-N-[1-(methoxyamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 51279322
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 46793424
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 55324291
2,4-dichloro-N-[1-[2-(methylamino)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 119503436
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 16543403

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate (CID 55473645) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate is CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1cn2cccc(C)c2n1.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate?
The InChIKey is CYGMVLSFBCIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3S/c1-13-4-3-8-26-11-15(24-19(13)26)12-29-21(28)18(7-9-30-2)25-20(27)16-6-5-14(22)10-17(16)23/h3-6,8,10-11,18H,7,9,12H2,1-2H3,(H,25,27).
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate has a molecular weight of 466.39 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate is sourced from PubChem (CID 55473645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).