(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

C24H28ClN3O4S — CID 42983676

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)OCc3cn4cc(Cl)ccc4n3)CC2)c1C
InChIInChI=1S/C24H28ClN3O4S/c1-15-11-16(2)18(4)23(17(15)3)33(30,31)28-9-7-19(8-10-28)24(29)32-14-21-13-27-12-20(25)5-6-22(27)26-21/h5-6,11-13,19H,7-10,14H2,1-4H3
InChIKeyAFBRGDJLQFTYDT-UHFFFAOYSA-N
MW490.03 g/mol
LogP4.37
Rot. Bonds5

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 42983676) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID42983676
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)OCc3cn4cc(Cl)ccc4n3)CC2)c1C
InChIInChI=1S/C24H28ClN3O4S/c1-15-11-16(2)18(4)23(17(15)3)33(30,31)28-9-7-19(8-10-28)24(29)32-14-21-13-27-12-20(25)5-6-22(27)26-21/h5-6,11-13,19H,7-10,14H2,1-4H3
InChIKeyAFBRGDJLQFTYDT-UHFFFAOYSA-N
XLogP4.37
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate (CID 42983676) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)OCc3cn4cc(Cl)ccc4n3)CC2)c1C.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is AFBRGDJLQFTYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-15-11-16(2)18(4)23(17(15)3)33(30,31)28-9-7-19(8-10-28)24(29)32-14-21-13-27-12-20(25)5-6-22(27)26-21/h5-6,11-13,19H,7-10,14H2,1-4H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 490.03 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 42983676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).