(3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone

C18H20F2N4O2 — CID 131663485

About (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone

(3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 131663485) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

• Compound Name: (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
• PubChem CID: 131663485
• Molecular Formula: C18H20F2N4O2
• Molecular Weight: 362.38 g/mol
• Exact Mass: 362.16
• IUPAC Name: (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
• SMILES: COc1ccccc1CN1Cc2cncn2C(C(=O)N2CC(F)(F)C2)C1
• InChI: InChI=1S/C18H20F2N4O2/c1-26-16-5-3-2-4-13(16)7-22-8-14-6-21-12-24(14)15(9-22)17(25)23-10-18(19,20)11-23/h2-6,12,15H,7-11H2,1H3
• InChIKey: BNLJOIWGURNLRU-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.38
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone?

The IUPAC name of (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone (CID 131663485) is (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone.

What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone?

The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone is COc1ccccc1CN1Cc2cncn2C(C(=O)N2CC(F)(F)C2)C1.

What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone?

The InChIKey is BNLJOIWGURNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-26-16-5-3-2-4-13(16)7-22-8-14-6-21-12-24(14)15(9-22)17(25)23-10-18(19,20)11-23/h2-6,12,15H,7-11H2,1H3.

What are the key properties of (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone?

(3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 362.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 131663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).