methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate

C12H15N3O3 — CID 117254267

IUPACmethyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNC(C)c1nc(C(=O)OC)c2cc(O)ccn12
InChIInChI=1S/C12H15N3O3/c1-7(13-2)11-14-10(12(17)18-3)9-6-8(16)4-5-15(9)11/h4-7,13,16H,1-3H3
InChIKeyLXABQTKTXHYIJU-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.11
Rot. Bonds3

About methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate

methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254267) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254267
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNC(C)c1nc(C(=O)OC)c2cc(O)ccn12
InChIInChI=1S/C12H15N3O3/c1-7(13-2)11-14-10(12(17)18-3)9-6-8(16)4-5-15(9)11/h4-7,13,16H,1-3H3
InChIKeyLXABQTKTXHYIJU-UHFFFAOYSA-N
XLogP1.11
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254299
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518
methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984145
methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253439
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
methyl 5-bromo-1-methyl-2-propan-2-ylimidazole-4-carboxylate
CID 170432111
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254300
7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255464
methyl 6-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253419
methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253238
7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251758

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate (CID 117254267) is methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate is CNC(C)c1nc(C(=O)OC)c2cc(O)ccn12.
What is the InChIKey of methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is LXABQTKTXHYIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(13-2)11-14-10(12(17)18-3)9-6-8(16)4-5-15(9)11/h4-7,13,16H,1-3H3.
What are the key properties of methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate?
methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).