(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

C21H23N3O6S — CID 16569329

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCc2cn3cccc(C)c3n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O6S/c1-15-4-3-7-23-13-17(22-20(15)23)14-30-21(25)16-5-6-18(28-2)19(12-16)31(26,27)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyGCCXKWQCMLPCEV-UHFFFAOYSA-N
MW445.50 g/mol
LogP2.03
Rot. Bonds6

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 16569329) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
PubChem CID16569329
Molecular FormulaC21H23N3O6S
Molecular Weight445.50 g/mol
Exact Mass445.13
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCc2cn3cccc(C)c3n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O6S/c1-15-4-3-7-23-13-17(22-20(15)23)14-30-21(25)16-5-6-18(28-2)19(12-16)31(26,27)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyGCCXKWQCMLPCEV-UHFFFAOYSA-N
XLogP2.03
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569268
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 16570626
imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 7761611
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 41477056
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
2-(4-methylphenoxy)ethyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2652455
[2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42985506
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 8873587
(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 27010764
[2-(2,5-diethylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42986055
[2-(3-ethylanilino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42971588

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (CID 16569329) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is COc1ccc(C(=O)OCc2cn3cccc(C)c3n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is GCCXKWQCMLPCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-15-4-3-7-23-13-17(22-20(15)23)14-30-21(25)16-5-6-18(28-2)19(12-16)31(26,27)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 445.50 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16569329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).