N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide

C19H15F3N4O3 — CID 140764830

About N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 140764830) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 140764830
• Molecular Formula: C19H15F3N4O3
• Molecular Weight: 404.35 g/mol
• Exact Mass: 404.11
• IUPAC Name: N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
• SMILES: CN1C(=O)C(NC(=O)c2ncc3ccc(C(F)(F)F)cn23)COc2ccccc21
• InChI: InChI=1S/C19H15F3N4O3/c1-25-14-4-2-3-5-15(14)29-10-13(18(25)28)24-17(27)16-23-8-12-7-6-11(9-26(12)16)19(20,21)22/h2-9,13H,10H2,1H3,(H,24,27)
• InChIKey: MFOBFSPRJIPYPA-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.35
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 140764830) is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide is CN1C(=O)C(NC(=O)c2ncc3ccc(C(F)(F)F)cn23)COc2ccccc21.

What is the InChIKey of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?

The InChIKey is MFOBFSPRJIPYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c1-25-14-4-2-3-5-15(14)29-10-13(18(25)28)24-17(27)16-23-8-12-7-6-11(9-26(12)16)19(20,21)22/h2-9,13H,10H2,1H3,(H,24,27).

What are the key properties of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140764830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).