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

C32H24BrClF3N5O5 — CID 155285325

IUPAC7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESO=C(NCc1ccccc1-c1ncco1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
InChIInChI=1S/C32H24BrClF3N5O5/c33-24-10-5-19(15-25(24)34)30(44)40-12-13-41-26(17-40)27(28(43)39-16-20-3-1-2-4-23(20)29-38-11-14-46-29)42(31(41)45)21-6-8-22(9-7-21)47-18-32(35,36)37/h1-11,14-15H,12-13,16-18H2,(H,39,43)
InChIKeyNIBDAODNPCHDEN-UHFFFAOYSA-N
MW730.93 g/mol
LogP6.24
Rot. Bonds8

About 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]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-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285325) has the molecular formula C32H24BrClF3N5O5 and a molecular weight of 730.93 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]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-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285325
Molecular FormulaC32H24BrClF3N5O5
Molecular Weight730.93 g/mol
Exact Mass729.06
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESO=C(NCc1ccccc1-c1ncco1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
InChIInChI=1S/C32H24BrClF3N5O5/c33-24-10-5-19(15-25(24)34)30(44)40-12-13-41-26(17-40)27(28(43)39-16-20-3-1-2-4-23(20)29-38-11-14-46-29)42(31(41)45)21-6-8-22(9-7-21)47-18-32(35,36)37/h1-11,14-15H,12-13,16-18H2,(H,39,43)
InChIKeyNIBDAODNPCHDEN-UHFFFAOYSA-N
XLogP6.24
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.93
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]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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Related Compounds

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285473
7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285729
N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739280
N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(2-methoxyethoxy)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285737
7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285789
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155302634
7-(4-bromo-3-chlorobenzoyl)-N-[1-[4-(cyanomethoxy)-2-fluorophenyl]ethyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285451
N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285610
7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285667
2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285476
N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-[(2R)-2-(trifluoromethyl)morpholin-4-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165414014
N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165414063

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]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-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285325) is 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]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-[[2-(1,3-oxazol-2-yl)phenyl]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-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccccc1-c1ncco1)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)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is NIBDAODNPCHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BrClF3N5O5/c33-24-10-5-19(15-25(24)34)30(44)40-12-13-41-26(17-40)27(28(43)39-16-20-3-1-2-4-23(20)29-38-11-14-46-29)42(31(41)45)21-6-8-22(9-7-21)47-18-32(35,36)37/h1-11,14-15H,12-13,16-18H2,(H,39,43).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]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-[[2-(1,3-oxazol-2-yl)phenyl]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 730.93 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]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 155285325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).