N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide

C15H18F3N3O — CID 58023922

IUPACN-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCC(NC(=O)c1nc(C(F)(F)F)c2ccccn12)C(C)(C)C
InChIInChI=1S/C15H18F3N3O/c1-9(14(2,3)4)19-13(22)12-20-11(15(16,17)18)10-7-5-6-8-21(10)12/h5-9H,1-4H3,(H,19,22)
InChIKeyDUHDVSUEUHEQCK-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.52
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023922) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023922
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCC(NC(=O)c1nc(C(F)(F)F)c2ccccn12)C(C)(C)C
InChIInChI=1S/C15H18F3N3O/c1-9(14(2,3)4)19-13(22)12-20-11(15(16,17)18)10-7-5-6-8-21(10)12/h5-9H,1-4H3,(H,19,22)
InChIKeyDUHDVSUEUHEQCK-UHFFFAOYSA-N
XLogP3.52
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 58023922) is N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide is CC(NC(=O)c1nc(C(F)(F)F)c2ccccn12)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DUHDVSUEUHEQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-9(14(2,3)4)19-13(22)12-20-11(15(16,17)18)10-7-5-6-8-21(10)12/h5-9H,1-4H3,(H,19,22).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).