3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid

C13H15N3O2 — CID 117255381

IUPAC3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccc2c(C(=O)O)nc(CNC3CC3)n2c1
InChIInChI=1S/C13H15N3O2/c1-8-2-5-10-12(13(17)18)15-11(16(10)7-8)6-14-9-3-4-9/h2,5,7,9,14H,3-4,6H2,1H3,(H,17,18)
InChIKeyFURIXUVADKPQPE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.59
Rot. Bonds4

About 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid

3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255381) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255381
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccc2c(C(=O)O)nc(CNC3CC3)n2c1
InChIInChI=1S/C13H15N3O2/c1-8-2-5-10-12(13(17)18)15-11(16(10)7-8)6-14-9-3-4-9/h2,5,7,9,14H,3-4,6H2,1H3,(H,17,18)
InChIKeyFURIXUVADKPQPE-UHFFFAOYSA-N
XLogP1.59
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255381) is 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccc2c(C(=O)O)nc(CNC3CC3)n2c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FURIXUVADKPQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-2-5-10-12(13(17)18)15-11(16(10)7-8)6-14-9-3-4-9/h2,5,7,9,14H,3-4,6H2,1H3,(H,17,18).
What are the key properties of 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).