N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide

C27H20F3N5O — CID 146963456

IUPACN-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccn5)nc(C)c34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C27H20F3N5O/c1-16-6-9-19(10-7-16)34-26(36)21-15-18(8-11-22(21)27(28,29)30)20-5-3-14-35-23(20)17(2)33-25(35)24-31-12-4-13-32-24/h3-15H,1-2H3,(H,34,36)
InChIKeyALAQPRJCAWCPJG-UHFFFAOYSA-N
MW487.49 g/mol
LogP6.35
Rot. Bonds4

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

N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (PubChem CID 146963456) has the molecular formula C27H20F3N5O and a molecular weight of 487.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
PubChem CID146963456
Molecular FormulaC27H20F3N5O
Molecular Weight487.49 g/mol
Exact Mass487.16
IUPAC NameN-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccn5)nc(C)c34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C27H20F3N5O/c1-16-6-9-19(10-7-16)34-26(36)21-15-18(8-11-22(21)27(28,29)30)20-5-3-14-35-23(20)17(2)33-25(35)24-31-12-4-13-32-24/h3-15H,1-2H3,(H,34,36)
InChIKeyALAQPRJCAWCPJG-UHFFFAOYSA-N
XLogP6.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.49
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212946
N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 146307411
5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146840453
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146341413
2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide
CID 157121940
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
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
1-[4-(1-amino-3-methylimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-methylphenyl)urea
CID 25135034
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 121089741

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (CID 146963456) is N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccn5)nc(C)c34)ccc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is ALAQPRJCAWCPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O/c1-16-6-9-19(10-7-16)34-26(36)21-15-18(8-11-22(21)27(28,29)30)20-5-3-14-35-23(20)17(2)33-25(35)24-31-12-4-13-32-24/h3-15H,1-2H3,(H,34,36).
What are the key properties of N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 487.49 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146963456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).