3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

C16H18N2O2 — CID 117149400

IUPAC3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1ccc(Cc2ncc3n2C(C(=O)O)CCC3)cc1
InChIInChI=1S/C16H18N2O2/c1-11-5-7-12(8-6-11)9-15-17-10-13-3-2-4-14(16(19)20)18(13)15/h5-8,10,14H,2-4,9H2,1H3,(H,19,20)
InChIKeySNGUPZHJFGVGKA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.74
Rot. Bonds3

About 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117149400) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117149400
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1ccc(Cc2ncc3n2C(C(=O)O)CCC3)cc1
InChIInChI=1S/C16H18N2O2/c1-11-5-7-12(8-6-11)9-15-17-10-13-3-2-4-14(16(19)20)18(13)15/h5-8,10,14H,2-4,9H2,1H3,(H,19,20)
InChIKeySNGUPZHJFGVGKA-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (CID 117149400) is 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is Cc1ccc(Cc2ncc3n2C(C(=O)O)CCC3)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is SNGUPZHJFGVGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-7-12(8-6-11)9-15-17-10-13-3-2-4-14(16(19)20)18(13)15/h5-8,10,14H,2-4,9H2,1H3,(H,19,20).
What are the key properties of 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117149400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).