methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate

C13H16N2O4 — CID 117252733

IUPACmethyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC(C)O)n2c(OC)cccc12
InChIInChI=1S/C13H16N2O4/c1-8(16)7-10-14-12(13(17)19-3)9-5-4-6-11(18-2)15(9)10/h4-6,8,16H,7H2,1-3H3
InChIKeyWABCGKQJLWHCEG-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.05
Rot. Bonds4

About methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117252733) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117252733
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC(C)O)n2c(OC)cccc12
InChIInChI=1S/C13H16N2O4/c1-8(16)7-10-14-12(13(17)19-3)9-5-4-6-11(18-2)15(9)10/h4-6,8,16H,7H2,1-3H3
InChIKeyWABCGKQJLWHCEG-UHFFFAOYSA-N
XLogP1.05
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate (CID 117252733) is methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC(C)O)n2c(OC)cccc12.
What is the InChIKey of methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is WABCGKQJLWHCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)7-10-14-12(13(17)19-3)9-5-4-6-11(18-2)15(9)10/h4-6,8,16H,7H2,1-3H3.
What are the key properties of methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117252733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).