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

C40H37BrF3N7O5 — CID 163257081

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

7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 163257081) has the molecular formula C40H37BrF3N7O5 and a molecular weight of 832.68 g/mol. Its IUPAC name is 7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 163257081
• Molecular Formula: C40H37BrF3N7O5
• Molecular Weight: 832.68 g/mol
• Exact Mass: 831.20
• IUPAC Name: 7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: O=C(NCc1ccccc1-c1ncccn1)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CC(CN1CCOCC1)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C2
• InChI: InChI=1S/C40H37BrF3N7O5/c41-33-13-6-25(20-32(33)40(42,43)44)38(53)49-24-34-35(37(52)47-21-26-4-1-2-5-31(26)36-45-14-3-15-46-36)51(27-7-9-29(10-8-27)56-30-11-12-30)39(54)50(34)23-28(49)22-48-16-18-55-19-17-48/h1-10,13-15,20,28,30H,11-12,16-19,21-24H2,(H,47,52)
• InChIKey: UQSUAECXSWTHHZ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 123.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.68
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 163257081) is 7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-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 7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccccc1-c1ncccn1)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CC(CN1CCOCC1)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C2.

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

The InChIKey is UQSUAECXSWTHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37BrF3N7O5/c41-33-13-6-25(20-32(33)40(42,43)44)38(53)49-24-34-35(37(52)47-21-26-4-1-2-5-31(26)36-45-14-3-15-46-36)51(27-7-9-29(10-8-27)56-30-11-12-30)39(54)50(34)23-28(49)22-48-16-18-55-19-17-48/h1-10,13-15,20,28,30H,11-12,16-19,21-24H2,(H,47,52).

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

7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 832.68 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-6-(morpholin-4-ylmethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 163257081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).