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

C51H38F3N9O3 — CID 159276022

IUPAC2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccn5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncco5)ncc34)ccc2C)cc1
InChIInChI=1S/C26H18F3N5O.C25H20N4O2/c1-16-5-8-18(9-6-16)33-25(35)20-14-17(7-10-21(20)26(27,28)29)19-4-2-13-34-22(19)15-32-24(34)23-30-11-3-12-31-23;1-16-5-9-19(10-6-16)28-24(30)21-14-18(8-7-17(21)2)20-4-3-12-29-22(20)15-27-23(29)25-26-11-13-31-25/h2-15H,1H3,(H,33,35);3-15H,1-2H3,(H,28,30)
InChIKeyKYHZCAHPHVZXPJ-UHFFFAOYSA-N
MW881.92 g/mol
LogP11.56
Rot. Bonds8

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

2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (PubChem CID 159276022) has the molecular formula C51H38F3N9O3 and a molecular weight of 881.92 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
PubChem CID159276022
Molecular FormulaC51H38F3N9O3
Molecular Weight881.92 g/mol
Exact Mass881.30
IUPAC Name2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccn5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncco5)ncc34)ccc2C)cc1
InChIInChI=1S/C26H18F3N5O.C25H20N4O2/c1-16-5-8-18(9-6-16)33-25(35)20-14-17(7-10-21(20)26(27,28)29)19-4-2-13-34-22(19)15-32-24(34)23-30-11-3-12-31-23;1-16-5-9-19(10-6-16)28-24(30)21-14-18(8-7-17(21)2)20-4-3-12-29-22(20)15-27-23(29)25-26-11-13-31-25/h2-15H,1H3,(H,33,35);3-15H,1-2H3,(H,28,30)
InChIKeyKYHZCAHPHVZXPJ-UHFFFAOYSA-N
XLogP11.56
TPSA144.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.92
LogP ≤ 511.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (CID 159276022) is 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccn5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncco5)ncc34)ccc2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is KYHZCAHPHVZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O.C25H20N4O2/c1-16-5-8-18(9-6-16)33-25(35)20-14-17(7-10-21(20)26(27,28)29)19-4-2-13-34-22(19)15-32-24(34)23-30-11-3-12-31-23;1-16-5-9-19(10-6-16)28-24(30)21-14-18(8-7-17(21)2)20-4-3-12-29-22(20)15-27-23(29)25-26-11-13-31-25/h2-15H,1H3,(H,33,35);3-15H,1-2H3,(H,28,30).
What are the key properties of 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 881.92 g/mol, XLogP of 11.56, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159276022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).