(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C39H35BrF6N8O3 — CID 167027749

About (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 167027749) has the molecular formula C39H35BrF6N8O3 and a molecular weight of 857.65 g/mol. Its IUPAC name is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 167027749
• Molecular Formula: C39H35BrF6N8O3
• Molecular Weight: 857.65 g/mol
• Exact Mass: 856.19
• IUPAC Name: (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-n3ccc(C(F)(F)F)n3)n(-c3ccc(N4CC5(CN(C)C5)C4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1
• InChI: InChI=1S/C39H35BrF6N8O3/c1-23-17-52-31(18-51(23)35(56)24-7-12-29(40)28(15-24)38(41,42)43)33(34(55)47-16-25-5-3-4-6-30(25)53-14-13-32(48-53)39(44,45)46)54(36(52)57)27-10-8-26(9-11-27)50-21-37(22-50)19-49(2)20-37/h3-15,23H,16-22H2,1-2H3,(H,47,55)/t23-/m1/s1
• InChIKey: WAZSQWPMBPCYQU-HSZRJFAPSA-N
• XLogP: 6.35
• TPSA: 100.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.65
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 167027749) is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-n3ccc(C(F)(F)F)n3)n(-c3ccc(N4CC5(CN(C)C5)C4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1.

What is the InChIKey of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is WAZSQWPMBPCYQU-HSZRJFAPSA-N. The full InChI is InChI=1S/C39H35BrF6N8O3/c1-23-17-52-31(18-51(23)35(56)24-7-12-29(40)28(15-24)38(41,42)43)33(34(55)47-16-25-5-3-4-6-30(25)53-14-13-32(48-53)39(44,45)46)54(36(52)57)27-10-8-26(9-11-27)50-21-37(22-50)19-49(2)20-37/h3-15,23H,16-22H2,1-2H3,(H,47,55)/t23-/m1/s1.

What are the key properties of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 857.65 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 167027749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).