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

C16H18N2O3 — CID 117248652

IUPAC3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)c3n2CC(C)CC3)c1
InChIInChI=1S/C16H18N2O3/c1-10-6-7-13-14(16(19)20)17-15(18(13)9-10)11-4-3-5-12(8-11)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyLALBWJOXRYTGBC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.84
Rot. Bonds3

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

3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117248652) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117248652
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)c3n2CC(C)CC3)c1
InChIInChI=1S/C16H18N2O3/c1-10-6-7-13-14(16(19)20)17-15(18(13)9-10)11-4-3-5-12(8-11)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyLALBWJOXRYTGBC-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152061
2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131987653
[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283
4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332379
methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249954
8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249959
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205
5-(3-methoxyphenyl)-1-methyltriazole-4-carboxylic acid
CID 82207563
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 63259837
N-(3-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 112847330

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117248652) is 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is COc1cccc(-c2nc(C(=O)O)c3n2CC(C)CC3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is LALBWJOXRYTGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-6-7-13-14(16(19)20)17-15(18(13)9-10)11-4-3-5-12(8-11)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117248652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).