methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate

C15H16N2O3 — CID 117249953

IUPACmethyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c1cnc2-c1cccc(O)c1
InChIInChI=1S/C15H16N2O3/c1-20-15(19)12-6-3-7-17-13(12)9-16-14(17)10-4-2-5-11(18)8-10/h2,4-5,8-9,12,18H,3,6-7H2,1H3
InChIKeyGAPWTKHUTHCIDH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.31
Rot. Bonds2

About methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate

methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117249953) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117249953
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c1cnc2-c1cccc(O)c1
InChIInChI=1S/C15H16N2O3/c1-20-15(19)12-6-3-7-17-13(12)9-16-14(17)10-4-2-5-11(18)8-10/h2,4-5,8-9,12,18H,3,6-7H2,1H3
InChIKeyGAPWTKHUTHCIDH-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (CID 117249953) is methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is COC(=O)C1CCCn2c1cnc2-c1cccc(O)c1.
What is the InChIKey of methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is GAPWTKHUTHCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-15(19)12-6-3-7-17-13(12)9-16-14(17)10-4-2-5-11(18)8-10/h2,4-5,8-9,12,18H,3,6-7H2,1H3.
What are the key properties of methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117249953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).