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

C21H19F2N5O2 — CID 166079122

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

8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one (PubChem CID 166079122) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is 8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079122
• Molecular Formula: C21H19F2N5O2
• Molecular Weight: 411.41 g/mol
• Exact Mass: 411.15
• IUPAC Name: 8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one
• SMILES: Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)F)cccn4c3=O)c2)COC1
• InChI: InChI=1S/C21H19F2N5O2/c1-26-13-24-25-18(26)9-21(11-30-12-21)14-4-2-5-15(8-14)28-10-17-16(19(22)23)6-3-7-27(17)20(28)29/h2-8,10,13,19H,9,11-12H2,1H3
• InChIKey: XZYNZLSZMFSLGW-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.41
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one (CID 166079122) is 8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one is Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)F)cccn4c3=O)c2)COC1.

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

The InChIKey is XZYNZLSZMFSLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c1-26-13-24-25-18(26)9-21(11-30-12-21)14-4-2-5-15(8-14)28-10-17-16(19(22)23)6-3-7-27(17)20(28)29/h2-8,10,13,19H,9,11-12H2,1H3.

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

8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one has a molecular weight of 411.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(difluoromethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).