7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one

C32H27BrClF2N3O4 — CID 158490823

About 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one

7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 158490823) has the molecular formula C32H27BrClF2N3O4 and a molecular weight of 670.94 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

• Compound Name: 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
• PubChem CID: 158490823
• Molecular Formula: C32H27BrClF2N3O4
• Molecular Weight: 670.94 g/mol
• Exact Mass: 669.08
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
• SMILES: O=C(CCc1ccccc1)c1c2n(c(=O)n1-c1ccc(OC3CC(F)(F)C3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
• InChI: InChI=1S/C32H27BrClF2N3O4/c33-25-12-7-21(16-26(25)34)30(41)37-14-15-38-27(19-37)29(28(40)13-6-20-4-2-1-3-5-20)39(31(38)42)22-8-10-23(11-9-22)43-24-17-32(35,36)18-24/h1-5,7-12,16,24H,6,13-15,17-19H2
• InChIKey: HIRCCDPAKPCWEY-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 73.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.94
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?

The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one (CID 158490823) is 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one.

What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?

The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one is O=C(CCc1ccccc1)c1c2n(c(=O)n1-c1ccc(OC3CC(F)(F)C3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.

What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?

The InChIKey is HIRCCDPAKPCWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27BrClF2N3O4/c33-25-12-7-21(16-26(25)34)30(41)37-14-15-38-27(19-37)29(28(40)13-6-20-4-2-1-3-5-20)39(31(38)42)22-8-10-23(11-9-22)43-24-17-32(35,36)18-24/h1-5,7-12,16,24H,6,13-15,17-19H2.

What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?

7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 670.94 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 158490823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).