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

C32H24BrClF4N6O4 — CID 155285366

IUPAC7-(4-bromo-3-chlorobenzoyl)-N-[[2-(4-fluoropyrazol-1-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-n1cc(F)cn1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
InChIInChI=1S/C32H24BrClF4N6O4/c33-24-10-5-19(13-25(24)34)30(46)41-11-12-42-27(17-41)28(44(31(42)47)22-6-8-23(9-7-22)48-18-32(36,37)38)29(45)39-14-20-3-1-2-4-26(20)43-16-21(35)15-40-43/h1-10,13,15-16H,11-12,14,17-18H2,(H,39,45)
InChIKeyKCCURLVDKYZVKM-UHFFFAOYSA-N
MW747.93 g/mol
LogP5.91
Rot. Bonds8

About 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(4-fluoropyrazol-1-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-(4-fluoropyrazol-1-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 155285366) has the molecular formula C32H24BrClF4N6O4 and a molecular weight of 747.93 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(4-fluoropyrazol-1-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-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285366
Molecular FormulaC32H24BrClF4N6O4
Molecular Weight747.93 g/mol
Exact Mass746.07
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-N-[[2-(4-fluoropyrazol-1-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-n1cc(F)cn1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
InChIInChI=1S/C32H24BrClF4N6O4/c33-24-10-5-19(13-25(24)34)30(46)41-11-12-42-27(17-41)28(44(31(42)47)22-6-8-23(9-7-22)48-18-32(36,37)38)29(45)39-14-20-3-1-2-4-26(20)43-16-21(35)15-40-43/h1-10,13,15-16H,11-12,14,17-18H2,(H,39,45)
InChIKeyKCCURLVDKYZVKM-UHFFFAOYSA-N
XLogP5.91
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.93
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(4-fluoropyrazol-1-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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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(4-fluoropyrazol-1-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-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285366) is 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(4-fluoropyrazol-1-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-(4-fluoropyrazol-1-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-(4-fluoropyrazol-1-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-n1cc(F)cn1)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-(4-fluoropyrazol-1-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 KCCURLVDKYZVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BrClF4N6O4/c33-24-10-5-19(13-25(24)34)30(46)41-11-12-42-27(17-41)28(44(31(42)47)22-6-8-23(9-7-22)48-18-32(36,37)38)29(45)39-14-20-3-1-2-4-26(20)43-16-21(35)15-40-43/h1-10,13,15-16H,11-12,14,17-18H2,(H,39,45).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-N-[[2-(4-fluoropyrazol-1-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-(4-fluoropyrazol-1-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 747.93 g/mol, XLogP of 5.91, 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-(4-fluoropyrazol-1-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 155285366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).