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

C16H18N2O3 — CID 117249954

IUPACmethyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c1cnc2-c1cccc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-12-6-3-5-11(9-12)15-17-10-14-13(16(19)21-2)7-4-8-18(14)15/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyQDWKBVOURVQMLJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.61
Rot. Bonds3

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

methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117249954) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117249954
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c1cnc2-c1cccc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-12-6-3-5-11(9-12)15-17-10-14-13(16(19)21-2)7-4-8-18(14)15/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyQDWKBVOURVQMLJ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249953
3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152061
8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249959
[3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]methanol
CID 117152322
[3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol
CID 117148171
[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]methanol
CID 117152359
[3-(3-methoxyphenyl)-5H-imidazo[1,5-c]quinazolin-6-yl]-pyrrolidin-1-ylmethanone
CID 18691089
methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249264
3-[(3-methoxyphenyl)methyl]-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152913
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methanone
CID 58724566
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (CID 117249954) is methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is COC(=O)C1CCCn2c1cnc2-c1cccc(OC)c1.
What is the InChIKey of methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is QDWKBVOURVQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-12-6-3-5-11(9-12)15-17-10-14-13(16(19)21-2)7-4-8-18(14)15/h3,5-6,9-10,13H,4,7-8H2,1-2H3.
What are the key properties of methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117249954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).