(2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C18H16F5N3O4 — CID 155173370

About (2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 155173370) has the molecular formula C18H16F5N3O4 and a molecular weight of 433.33 g/mol. Its IUPAC name is (2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 155173370
• Molecular Formula: C18H16F5N3O4
• Molecular Weight: 433.33 g/mol
• Exact Mass: 433.11
• IUPAC Name: (2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
• SMILES: CC1CN(C(=O)c2ccc3c(c2)OC(F)(F)O3)Cc2cnc(C(C)(O)C(F)(F)F)n21
• InChI: InChI=1S/C18H16F5N3O4/c1-9-7-25(8-11-6-24-15(26(9)11)16(2,28)17(19,20)21)14(27)10-3-4-12-13(5-10)30-18(22,23)29-12/h3-6,9,28H,7-8H2,1-2H3
• InChIKey: LDYGDXKFRFPMHL-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 76.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.33
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 155173370) is (2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is CC1CN(C(=O)c2ccc3c(c2)OC(F)(F)O3)Cc2cnc(C(C)(O)C(F)(F)F)n21.

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

The InChIKey is LDYGDXKFRFPMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N3O4/c1-9-7-25(8-11-6-24-15(26(9)11)16(2,28)17(19,20)21)14(27)10-3-4-12-13(5-10)30-18(22,23)29-12/h3-6,9,28H,7-8H2,1-2H3.

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

(2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 433.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 155173370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).