N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

C25H19F3N6O — CID 157212946

IUPACN-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cnnn5C)ncc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C25H19F3N6O/c1-15-5-8-17(9-6-15)31-24(35)19-12-16(7-10-20(19)25(26,27)28)18-4-3-11-34-21(18)13-29-23(34)22-14-30-32-33(22)2/h3-14H,1-2H3,(H,31,35)
InChIKeyIBWHKGVZNAJTPK-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.38
Rot. Bonds4

About N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 157212946) has the molecular formula C25H19F3N6O and a molecular weight of 476.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID157212946
Molecular FormulaC25H19F3N6O
Molecular Weight476.46 g/mol
Exact Mass476.16
IUPAC NameN-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cnnn5C)ncc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C25H19F3N6O/c1-15-5-8-17(9-6-15)31-24(35)19-12-16(7-10-20(19)25(26,27)28)18-4-3-11-34-21(18)13-29-23(34)22-14-30-32-33(22)2/h3-14H,1-2H3,(H,31,35)
InChIKeyIBWHKGVZNAJTPK-UHFFFAOYSA-N
XLogP5.38
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 160643216
N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 146963456
N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 146307411
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 157356274
5-[3,3-dimethyl-2-oxo-1-(1-oxopyrazol-1-ium-3-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 160875185
5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide
CID 159956422
2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide
CID 157121940
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146840453
5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 160683858
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146341413
5-[3-(2-chloro-3-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(3-chloro-2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;2-cyclopropyl-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-dichlorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 159983729

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (CID 157212946) is N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cnnn5C)ncc34)ccc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is IBWHKGVZNAJTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O/c1-15-5-8-17(9-6-15)31-24(35)19-12-16(7-10-20(19)25(26,27)28)18-4-3-11-34-21(18)13-29-23(34)22-14-30-32-33(22)2/h3-14H,1-2H3,(H,31,35).
What are the key properties of N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 476.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 157212946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).