methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate

C16H18N2O3 — CID 117248664

IUPACmethyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2cnc(-c3ccccc3OC)n2C1
InChIInChI=1S/C16H18N2O3/c1-20-14-6-4-3-5-13(14)15-17-9-12-8-7-11(10-18(12)15)16(19)21-2/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyFRSSDSYCPAMXTO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.29
Rot. Bonds3

About methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate

methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117248664) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117248664
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2cnc(-c3ccccc3OC)n2C1
InChIInChI=1S/C16H18N2O3/c1-20-14-6-4-3-5-13(14)15-17-9-12-8-7-11(10-18(12)15)16(19)21-2/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyFRSSDSYCPAMXTO-UHFFFAOYSA-N
XLogP2.29
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (CID 117248664) is methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)C1CCc2cnc(-c3ccccc3OC)n2C1.
What is the InChIKey of methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is FRSSDSYCPAMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-6-4-3-5-13(14)15-17-9-12-8-7-11(10-18(12)15)16(19)21-2/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117248664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).