methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate

C12H15N3O3 — CID 117254937

IUPACmethyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNCCc1nc(C(=O)OC)c2c(O)cccn12
InChIInChI=1S/C12H15N3O3/c1-13-6-5-9-14-10(12(17)18-2)11-8(16)4-3-7-15(9)11/h3-4,7,13,16H,5-6H2,1-2H3
InChIKeyLFROEQVTLXXRJI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.59
Rot. Bonds4

About methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate

methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254937) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254937
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNCCc1nc(C(=O)OC)c2c(O)cccn12
InChIInChI=1S/C12H15N3O3/c1-13-6-5-9-14-10(12(17)18-2)11-8(16)4-3-7-15(9)11/h3-4,7,13,16H,5-6H2,1-2H3
InChIKeyLFROEQVTLXXRJI-UHFFFAOYSA-N
XLogP0.59
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate (CID 117254937) is methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate is CNCCc1nc(C(=O)OC)c2c(O)cccn12.
What is the InChIKey of methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is LFROEQVTLXXRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-6-5-9-14-10(12(17)18-2)11-8(16)4-3-7-15(9)11/h3-4,7,13,16H,5-6H2,1-2H3.
What are the key properties of methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate?
methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).