6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C26H29F3N6O3 — CID 166079210

About 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079210) has the molecular formula C26H29F3N6O3 and a molecular weight of 530.55 g/mol. Its IUPAC name is 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079210
• Molecular Formula: C26H29F3N6O3
• Molecular Weight: 530.55 g/mol
• Exact Mass: 530.23
• IUPAC Name: 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: COCCN(C)Cc1cc(C(F)(F)F)c2cn(-c3cccc(C4(Cc5nncn5C)COC4)c3)c(=O)n2c1
• InChI: InChI=1S/C26H29F3N6O3/c1-32(7-8-37-3)12-18-9-21(26(27,28)29)22-14-34(24(36)35(22)13-18)20-6-4-5-19(10-20)25(15-38-16-25)11-23-31-30-17-33(23)2/h4-6,9-10,13-14,17H,7-8,11-12,15-16H2,1-3H3
• InChIKey: KZBGGIYNUPCMRA-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 78.82 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.55
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079210) is 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is COCCN(C)Cc1cc(C(F)(F)F)c2cn(-c3cccc(C4(Cc5nncn5C)COC4)c3)c(=O)n2c1.

What is the InChIKey of 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is KZBGGIYNUPCMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O3/c1-32(7-8-37-3)12-18-9-21(26(27,28)29)22-14-34(24(36)35(22)13-18)20-6-4-5-19(10-20)25(15-38-16-25)11-23-31-30-17-33(23)2/h4-6,9-10,13-14,17H,7-8,11-12,15-16H2,1-3H3.

What are the key properties of 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 530.55 g/mol, XLogP of 2.83, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-methoxyethyl(methyl)amino]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).