3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate

C17H23N3O3S — CID 75450708

IUPAC3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCSc1nc(C(=O)OCCCN2CCOCC2C)c2ccccn12
InChIInChI=1S/C17H23N3O3S/c1-13-12-22-11-9-19(13)7-5-10-23-16(21)15-14-6-3-4-8-20(14)17(18-15)24-2/h3-4,6,8,13H,5,7,9-12H2,1-2H3
InChIKeyZPCUHHPHOUAPFI-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.32
Rot. Bonds6

About 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate

3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 75450708) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID75450708
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCSc1nc(C(=O)OCCCN2CCOCC2C)c2ccccn12
InChIInChI=1S/C17H23N3O3S/c1-13-12-22-11-9-19(13)7-5-10-23-16(21)15-14-6-3-4-8-20(14)17(18-15)24-2/h3-4,6,8,13H,5,7,9-12H2,1-2H3
InChIKeyZPCUHHPHOUAPFI-UHFFFAOYSA-N
XLogP2.32
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate (CID 75450708) is 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate is CSc1nc(C(=O)OCCCN2CCOCC2C)c2ccccn12.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is ZPCUHHPHOUAPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-12-22-11-9-19(13)7-5-10-23-16(21)15-14-6-3-4-8-20(14)17(18-15)24-2/h3-4,6,8,13H,5,7,9-12H2,1-2H3.
What are the key properties of 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 349.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholin-4-yl)propyl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 75450708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).