imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate

C20H21N3O5S — CID 7761611

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OCc2cn3ccccc3n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H21N3O5S/c1-15-5-6-16(12-18(15)29(25,26)23-8-10-27-11-9-23)20(24)28-14-17-13-22-7-3-2-4-19(22)21-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyNDEIQGSQWBVPLU-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.02
Rot. Bonds5

About imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate

imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 7761611) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
PubChem CID7761611
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OCc2cn3ccccc3n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H21N3O5S/c1-15-5-6-16(12-18(15)29(25,26)23-8-10-27-11-9-23)20(24)28-14-17-13-22-7-3-2-4-19(22)21-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyNDEIQGSQWBVPLU-UHFFFAOYSA-N
XLogP2.02
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 16569329
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 8762046
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16596407
(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568664
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 134056718
naphthalen-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2677401
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55500404
[2-oxo-2-(1-phenylethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528946
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3983361
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate (CID 7761611) is imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate is Cc1ccc(C(=O)OCc2cn3ccccc3n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is NDEIQGSQWBVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-15-5-6-16(12-18(15)29(25,26)23-8-10-27-11-9-23)20(24)28-14-17-13-22-7-3-2-4-19(22)21-17/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 415.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 7761611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).