7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C35H29BrClFN6O4 — CID 164739229

About 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164739229) has the molecular formula C35H29BrClFN6O4 and a molecular weight of 732.01 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164739229
• Molecular Formula: C35H29BrClFN6O4
• Molecular Weight: 732.01 g/mol
• Exact Mass: 730.11
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: CC1Cn2c(c(C(=O)NCc3c(F)cccc3-c3cccnn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
• InChI: InChI=1S/C35H29BrClFN6O4/c1-20-18-43-31(19-42(20)34(46)21-7-14-27(36)28(37)16-21)32(44(35(43)47)22-8-10-23(11-9-22)48-24-12-13-24)33(45)39-17-26-25(4-2-5-29(26)38)30-6-3-15-40-41-30/h2-11,14-16,20,24H,12-13,17-19H2,1H3,(H,39,45)
• InChIKey: JGOXFIAAFISKQA-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 111.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.01
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164739229) is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CC1Cn2c(c(C(=O)NCc3c(F)cccc3-c3cccnn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.

What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is JGOXFIAAFISKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29BrClFN6O4/c1-20-18-43-31(19-42(20)34(46)21-7-14-27(36)28(37)16-21)32(44(35(43)47)22-8-10-23(11-9-22)48-24-12-13-24)33(45)39-17-26-25(4-2-5-29(26)38)30-6-3-15-40-41-30/h2-11,14-16,20,24H,12-13,17-19H2,1H3,(H,39,45).

What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 732.01 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164739229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).