ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate

C15H18FN3O3 — CID 57436247

IUPACethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nc(CN2CCOCC2)c2c(F)cccn12
InChIInChI=1S/C15H18FN3O3/c1-2-22-15(20)14-17-12(10-18-6-8-21-9-7-18)13-11(16)4-3-5-19(13)14/h3-5H,2,6-10H2,1H3
InChIKeyAQTGNKXZEMLUGL-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.48
Rot. Bonds4

About ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate

ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 57436247) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
PubChem CID57436247
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Nameethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nc(CN2CCOCC2)c2c(F)cccn12
InChIInChI=1S/C15H18FN3O3/c1-2-22-15(20)14-17-12(10-18-6-8-21-9-7-18)13-11(16)4-3-5-19(13)14/h3-5H,2,6-10H2,1H3
InChIKeyAQTGNKXZEMLUGL-UHFFFAOYSA-N
XLogP1.48
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate (CID 57436247) is ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1nc(CN2CCOCC2)c2c(F)cccn12.
What is the InChIKey of ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is AQTGNKXZEMLUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-2-22-15(20)14-17-12(10-18-6-8-21-9-7-18)13-11(16)4-3-5-19(13)14/h3-5H,2,6-10H2,1H3.
What are the key properties of ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate?
ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 57436247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).