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

C32H25BrClF4N5O5 — CID 155285451

IUPAC7-(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
SMILESCC(NC(=O)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(OCC#N)cc1F
InChIInChI=1S/C32H25BrClF4N5O5/c1-18(23-8-7-22(15-26(23)35)47-13-10-39)40-29(44)28-27-16-41(30(45)19-2-9-24(33)25(34)14-19)11-12-42(27)31(46)43(28)20-3-5-21(6-4-20)48-17-32(36,37)38/h2-9,14-15,18H,11-13,16-17H2,1H3,(H,40,44)
InChIKeyDFFGTCRCXNVCLA-UHFFFAOYSA-N
MW750.93 g/mol
LogP6.18
Rot. Bonds9

About 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

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 (PubChem CID 155285451) has the molecular formula C32H25BrClF4N5O5 and a molecular weight of 750.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID155285451
Molecular FormulaC32H25BrClF4N5O5
Molecular Weight750.93 g/mol
Exact Mass749.07
IUPAC Name7-(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
SMILESCC(NC(=O)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(OCC#N)cc1F
InChIInChI=1S/C32H25BrClF4N5O5/c1-18(23-8-7-22(15-26(23)35)47-13-10-39)40-29(44)28-27-16-41(30(45)19-2-9-24(33)25(34)14-19)11-12-42(27)31(46)43(28)20-3-5-21(6-4-20)48-17-32(36,37)38/h2-9,14-15,18H,11-13,16-17H2,1H3,(H,40,44)
InChIKeyDFFGTCRCXNVCLA-UHFFFAOYSA-N
XLogP6.18
TPSA118.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.93
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(NC(=O)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(OCC#N)cc1F.
What is the InChIKey of 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?
The InChIKey is DFFGTCRCXNVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25BrClF4N5O5/c1-18(23-8-7-22(15-26(23)35)47-13-10-39)40-29(44)28-27-16-41(30(45)19-2-9-24(33)25(34)14-19)11-12-42(27)31(46)43(28)20-3-5-21(6-4-20)48-17-32(36,37)38/h2-9,14-15,18H,11-13,16-17H2,1H3,(H,40,44).
What are the key properties of 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?
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 has a molecular weight of 750.93 g/mol, XLogP of 6.18, 9 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-[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 is sourced from PubChem (CID 155285451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).