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

C34H26BrClF3N5O4 — CID 155285579

IUPAC7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESO=C(NCc1ccccc1-c1ccccn1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
InChIInChI=1S/C34H26BrClF3N5O4/c35-26-13-8-21(17-27(26)36)32(46)42-15-16-43-29(19-42)30(44(33(43)47)23-9-11-24(12-10-23)48-20-34(37,38)39)31(45)41-18-22-5-1-2-6-25(22)28-7-3-4-14-40-28/h1-14,17H,15-16,18-20H2,(H,41,45)
InChIKeyADXVSYUEVMVNRI-UHFFFAOYSA-N
MW740.96 g/mol
LogP6.64
Rot. Bonds8

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

7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285579) has the molecular formula C34H26BrClF3N5O4 and a molecular weight of 740.96 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285579
Molecular FormulaC34H26BrClF3N5O4
Molecular Weight740.96 g/mol
Exact Mass739.08
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESO=C(NCc1ccccc1-c1ccccn1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
InChIInChI=1S/C34H26BrClF3N5O4/c35-26-13-8-21(17-27(26)36)32(46)42-15-16-43-29(19-42)30(44(33(43)47)23-9-11-24(12-10-23)48-20-34(37,38)39)31(45)41-18-22-5-1-2-6-25(22)28-7-3-4-14-40-28/h1-14,17H,15-16,18-20H2,(H,41,45)
InChIKeyADXVSYUEVMVNRI-UHFFFAOYSA-N
XLogP6.64
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.96
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285579) is 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccccc1-c1ccccn1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.
What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is ADXVSYUEVMVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26BrClF3N5O4/c35-26-13-8-21(17-27(26)36)32(46)42-15-16-43-29(19-42)30(44(33(43)47)23-9-11-24(12-10-23)48-20-34(37,38)39)31(45)41-18-22-5-1-2-6-25(22)28-7-3-4-14-40-28/h1-14,17H,15-16,18-20H2,(H,41,45).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 740.96 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).