ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate

C14H17N3O5S — CID 154769381

IUPACethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nc(S(=O)(=O)N2CC(OC)C2)c2ccccn12
InChIInChI=1S/C14H17N3O5S/c1-3-22-14(18)12-15-13(11-6-4-5-7-17(11)12)23(19,20)16-8-10(9-16)21-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGFSATDCYJNPGRR-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.53
Rot. Bonds5

About ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate

ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 154769381) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate
PubChem CID154769381
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Nameethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nc(S(=O)(=O)N2CC(OC)C2)c2ccccn12
InChIInChI=1S/C14H17N3O5S/c1-3-22-14(18)12-15-13(11-6-4-5-7-17(11)12)23(19,20)16-8-10(9-16)21-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGFSATDCYJNPGRR-UHFFFAOYSA-N
XLogP0.53
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
ethyl 1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
CID 57436228
(3S,4S)-1-(2-ethoxycarbonylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103747
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate
CID 125113165
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide
CID 154854752
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
1-(2-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 122068242

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate (CID 154769381) is ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1nc(S(=O)(=O)N2CC(OC)C2)c2ccccn12.
What is the InChIKey of ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is GFSATDCYJNPGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-3-22-14(18)12-15-13(11-6-4-5-7-17(11)12)23(19,20)16-8-10(9-16)21-2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate?
ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 339.37 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 154769381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).