5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C13H17N3O2 — CID 117250597

IUPAC5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(C)(C)Cc1nc(C(=O)O)c2cccc(N)n12
InChIInChI=1S/C13H17N3O2/c1-13(2,3)7-10-15-11(12(17)18)8-5-4-6-9(14)16(8)10/h4-6H,7,14H2,1-3H3,(H,17,18)
InChIKeySAMKXAICVWHROS-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.20
Rot. Bonds2

About 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid

5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117250597) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117250597
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(C)(C)Cc1nc(C(=O)O)c2cccc(N)n12
InChIInChI=1S/C13H17N3O2/c1-13(2,3)7-10-15-11(12(17)18)8-5-4-6-9(14)16(8)10/h4-6H,7,14H2,1-3H3,(H,17,18)
InChIKeySAMKXAICVWHROS-UHFFFAOYSA-N
XLogP2.20
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117250597) is 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(C)(C)Cc1nc(C(=O)O)c2cccc(N)n12.
What is the InChIKey of 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is SAMKXAICVWHROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)7-10-15-11(12(17)18)8-5-4-6-9(14)16(8)10/h4-6H,7,14H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117250597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).