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

C33H27BrClF3N6O5 — CID 155285342

IUPAC7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2c3n(c(=O)n2-c2ccc(OCC(F)(F)F)cc2)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)c(-n2cccn2)c1
InChIInChI=1S/C33H27BrClF3N6O5/c1-48-24-7-3-21(27(16-24)43-12-2-11-40-43)17-39-30(45)29-28-18-41(31(46)20-4-10-25(34)26(35)15-20)13-14-42(28)32(47)44(29)22-5-8-23(9-6-22)49-19-33(36,37)38/h2-12,15-16H,13-14,17-19H2,1H3,(H,39,45)
InChIKeyLUOGFNWCVRNRSD-UHFFFAOYSA-N
MW759.97 g/mol
LogP5.78
Rot. Bonds9

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

7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285342) has the molecular formula C33H27BrClF3N6O5 and a molecular weight of 759.97 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-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)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285342
Molecular FormulaC33H27BrClF3N6O5
Molecular Weight759.97 g/mol
Exact Mass758.09
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2c3n(c(=O)n2-c2ccc(OCC(F)(F)F)cc2)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)c(-n2cccn2)c1
InChIInChI=1S/C33H27BrClF3N6O5/c1-48-24-7-3-21(27(16-24)43-12-2-11-40-43)17-39-30(45)29-28-18-41(31(46)20-4-10-25(34)26(35)15-20)13-14-42(28)32(47)44(29)22-5-8-23(9-6-22)49-19-33(36,37)38/h2-12,15-16H,13-14,17-19H2,1H3,(H,39,45)
InChIKeyLUOGFNWCVRNRSD-UHFFFAOYSA-N
XLogP5.78
TPSA112.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.97
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)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 7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-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)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285342) is 7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-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)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-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)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(CNC(=O)c2c3n(c(=O)n2-c2ccc(OCC(F)(F)F)cc2)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)c(-n2cccn2)c1.
What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is LUOGFNWCVRNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27BrClF3N6O5/c1-48-24-7-3-21(27(16-24)43-12-2-11-40-43)17-39-30(45)29-28-18-41(31(46)20-4-10-25(34)26(35)15-20)13-14-42(28)32(47)44(29)22-5-8-23(9-6-22)49-19-33(36,37)38/h2-12,15-16H,13-14,17-19H2,1H3,(H,39,45).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 759.97 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxy-2-pyrazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).