imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate

C20H21N3O4S — CID 7626180

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1cn2ccccc2n1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H21N3O4S/c24-20(27-15-16-14-22-11-7-4-10-19(22)21-16)17-8-2-3-9-18(17)28(25,26)23-12-5-1-6-13-23/h2-4,7-11,14H,1,5-6,12-13,15H2
InChIKeyFITGUJJUASBERN-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.87
Rot. Bonds5

About imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate

imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate (PubChem CID 7626180) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
PubChem CID7626180
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1cn2ccccc2n1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H21N3O4S/c24-20(27-15-16-14-22-11-7-4-10-19(22)21-16)17-8-2-3-9-18(17)28(25,26)23-12-5-1-6-13-23/h2-4,7-11,14H,1,5-6,12-13,15H2
InChIKeyFITGUJJUASBERN-UHFFFAOYSA-N
XLogP2.87
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline
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imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
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CID 7806929
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imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
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(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 55404353
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 134056718
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806906
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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate (CID 7626180) is imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate is O=C(OCc1cn2ccccc2n1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate?
The InChIKey is FITGUJJUASBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-20(27-15-16-14-22-11-7-4-10-19(22)21-16)17-8-2-3-9-18(17)28(25,26)23-12-5-1-6-13-23/h2-4,7-11,14H,1,5-6,12-13,15H2.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate has a molecular weight of 399.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 7626180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).