N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C18H12F3N3O — CID 134791991

IUPACN-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)c2ccccn12
InChIInChI=1S/C18H12F3N3O/c1-2-9-22-17(25)16-23-15(14-8-3-4-10-24(14)16)12-6-5-7-13(11-12)18(19,20)21/h1,3-8,10-11H,9H2,(H,22,25)
InChIKeyFDUBSJZIVXYLLH-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.38
Rot. Bonds3

About N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide

N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 134791991) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID134791991
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC NameN-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)c2ccccn12
InChIInChI=1S/C18H12F3N3O/c1-2-9-22-17(25)16-23-15(14-8-3-4-10-24(14)16)12-6-5-7-13(11-12)18(19,20)21/h1,3-8,10-11H,9H2,(H,22,25)
InChIKeyFDUBSJZIVXYLLH-UHFFFAOYSA-N
XLogP3.38
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone
CID 134794746
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134794732
1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023387
N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134793823
1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171931929
1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide
CID 134795389
1-(3-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 70943881
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
tert-butyl N-[2-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]ethyl]carbamate
CID 11742008
4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid
CID 19020453
N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 70943933
N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800055

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 134791991) is N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide is C#CCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)c2ccccn12.
What is the InChIKey of N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FDUBSJZIVXYLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c1-2-9-22-17(25)16-23-15(14-8-3-4-10-24(14)16)12-6-5-7-13(11-12)18(19,20)21/h1,3-8,10-11H,9H2,(H,22,25).
What are the key properties of N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134791991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).