(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

C21H22ClN3O4S — CID 16570353

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cccn2cc(COC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12
InChIInChI=1S/C21H22ClN3O4S/c1-15-3-2-10-24-13-18(23-20(15)24)14-29-21(26)16-8-11-25(12-9-16)30(27,28)19-6-4-17(22)5-7-19/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyGLUCGZNRSHDJNG-UHFFFAOYSA-N
MW447.94 g/mol
LogP3.44
Rot. Bonds5

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 16570353) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID16570353
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cccn2cc(COC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12
InChIInChI=1S/C21H22ClN3O4S/c1-15-3-2-10-24-13-18(23-20(15)24)14-29-21(26)16-8-11-25(12-9-16)30(27,28)19-6-4-17(22)5-7-19/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyGLUCGZNRSHDJNG-UHFFFAOYSA-N
XLogP3.44
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 42983676
(2,6-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 8765614
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42578108
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624
ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460
(3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 25497624
1-benzofuran-2-ylmethyl 1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 34155150
2-[(2,6-dichlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine
CID 24675023
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 19324347

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate (CID 16570353) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate is Cc1cccn2cc(COC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is GLUCGZNRSHDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c1-15-3-2-10-24-13-18(23-20(15)24)14-29-21(26)16-8-11-25(12-9-16)30(27,28)19-6-4-17(22)5-7-19/h2-7,10,13,16H,8-9,11-12,14H2,1H3.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 447.94 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 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 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 16570353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).