(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C37H32BrF3N8O4 — CID 167027613

About (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 167027613) has the molecular formula C37H32BrF3N8O4 and a molecular weight of 789.61 g/mol. Its IUPAC name is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 167027613
• Molecular Formula: C37H32BrF3N8O4
• Molecular Weight: 789.61 g/mol
• Exact Mass: 788.17
• IUPAC Name: (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc4c(cnn4C[C@@H](C)O)c3)c2=O)CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1
• InChI: InChI=1S/C37H32BrF3N8O4/c1-21-18-47-31(20-46(21)35(52)23-8-10-29(38)28(15-23)37(39,40)41)32(34(51)44-16-24-6-3-4-7-27(24)33-42-12-5-13-43-33)49(36(47)53)26-9-11-30-25(14-26)17-45-48(30)19-22(2)50/h3-15,17,21-22,50H,16,18-20H2,1-2H3,(H,44,51)/t21-,22-/m1/s1
• InChIKey: WNSUBBZYMBYYDK-FGZHOGPDSA-N
• XLogP: 5.58
• TPSA: 140.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.61
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 167027613) is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)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]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc4c(cnn4C[C@@H](C)O)c3)c2=O)CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1.

What is the InChIKey of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is WNSUBBZYMBYYDK-FGZHOGPDSA-N. The full InChI is InChI=1S/C37H32BrF3N8O4/c1-21-18-47-31(20-46(21)35(52)23-8-10-29(38)28(15-23)37(39,40)41)32(34(51)44-16-24-6-3-4-7-27(24)33-42-12-5-13-43-33)49(36(47)53)26-9-11-30-25(14-26)17-45-48(30)19-22(2)50/h3-15,17,21-22,50H,16,18-20H2,1-2H3,(H,44,51)/t21-,22-/m1/s1.

What are the key properties of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 789.61 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-[1-[(2R)-2-hydroxypropyl]indazol-5-yl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 167027613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).