(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C36H32BrF3N6O5 — CID 165110025

IUPAC(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(OC[C@@H](O)C(F)(F)F)cc4)c(=O)n3C[C@H]2C)ccc1Br
InChIInChI=1S/C36H32BrF3N6O5/c1-21-16-23(9-14-28(21)37)34(49)44-19-30-32(33(48)41-17-24-6-3-4-7-27(24)29-8-5-15-42-43-29)46(35(50)45(30)18-22(44)2)25-10-12-26(13-11-25)51-20-31(47)36(38,39)40/h3-16,22,31,47H,17-20H2,1-2H3,(H,41,48)/t22-,31-/m1/s1
InChIKeyZUFZZNDZDZTHMV-JPZYQRIQSA-N
MW765.59 g/mol
LogP5.44
Rot. Bonds9

About (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165110025) has the molecular formula C36H32BrF3N6O5 and a molecular weight of 765.59 g/mol. Its IUPAC name is (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID165110025
Molecular FormulaC36H32BrF3N6O5
Molecular Weight765.59 g/mol
Exact Mass764.16
IUPAC Name(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(OC[C@@H](O)C(F)(F)F)cc4)c(=O)n3C[C@H]2C)ccc1Br
InChIInChI=1S/C36H32BrF3N6O5/c1-21-16-23(9-14-28(21)37)34(49)44-19-30-32(33(48)41-17-24-6-3-4-7-27(24)29-8-5-15-42-43-29)46(35(50)45(30)18-22(44)2)25-10-12-26(13-11-25)51-20-31(47)36(38,39)40/h3-16,22,31,47H,17-20H2,1-2H3,(H,41,48)/t22-,31-/m1/s1
InChIKeyZUFZZNDZDZTHMV-JPZYQRIQSA-N
XLogP5.44
TPSA131.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.59
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165110025) is (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(OC[C@@H](O)C(F)(F)F)cc4)c(=O)n3C[C@H]2C)ccc1Br.
What is the InChIKey of (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is ZUFZZNDZDZTHMV-JPZYQRIQSA-N. The full InChI is InChI=1S/C36H32BrF3N6O5/c1-21-16-23(9-14-28(21)37)34(49)44-19-30-32(33(48)41-17-24-6-3-4-7-27(24)29-8-5-15-42-43-29)46(35(50)45(30)18-22(44)2)25-10-12-26(13-11-25)51-20-31(47)36(38,39)40/h3-16,22,31,47H,17-20H2,1-2H3,(H,41,48)/t22-,31-/m1/s1.
What are the key properties of (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 765.59 g/mol, XLogP of 5.44, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165110025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).