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

C35H32BrClN6O4 — CID 164739163

IUPAC7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC1Cn2c(c(C(=O)NCc3ccccc3-c3ccn(C)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C35H32BrClN6O4/c1-21-19-42-31(20-41(21)34(45)22-7-14-28(36)29(37)17-22)32(43(35(42)46)24-8-10-25(11-9-24)47-26-12-13-26)33(44)38-18-23-5-3-4-6-27(23)30-15-16-40(2)39-30/h3-11,14-17,21,26H,12-13,18-20H2,1-2H3,(H,38,44)
InChIKeyJGYJMYTWEQUPSF-UHFFFAOYSA-N
MW716.04 g/mol
LogP5.97
Rot. Bonds8

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

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164739163) has the molecular formula C35H32BrClN6O4 and a molecular weight of 716.04 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164739163
Molecular FormulaC35H32BrClN6O4
Molecular Weight716.04 g/mol
Exact Mass714.14
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC1Cn2c(c(C(=O)NCc3ccccc3-c3ccn(C)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C35H32BrClN6O4/c1-21-19-42-31(20-41(21)34(45)22-7-14-28(36)29(37)17-22)32(43(35(42)46)24-8-10-25(11-9-24)47-26-12-13-26)33(44)38-18-23-5-3-4-6-27(23)30-15-16-40(2)39-30/h3-11,14-17,21,26H,12-13,18-20H2,1-2H3,(H,38,44)
InChIKeyJGYJMYTWEQUPSF-UHFFFAOYSA-N
XLogP5.97
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.04
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(4-bromo-3-chloro-benzoyl)-2-[4-(cyclopropoxy)phenyl]-N-[[2-(3-fluoro-2-pyridyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285326
7-(4-bromo-3-chloro-benzoyl)-N-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285330
7-(4-bromo-3-chloro-benzoyl)-N-[(4-methoxy-2-pyrazol-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 155285342
7-(4-bromo-3-chloro-benzoyl)-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285349
7-(4-bromo-3-chloro-benzoyl)-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
7-(4-bromo-3-chloro-benzoyl)-3-oxo-N-[(2-pyrazin-2-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285406
N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285480
7-(4-bromo-3-chloro-benzoyl)-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285541
7-(4-bromo-3-chloro-benzoyl)-3-oxo-N-[[2-(2-pyridyl)phenyl]methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285579
7-(4-bromo-3-chloro-benzoyl)-2-[4-(cyclopropoxy)phenyl]-N-[(2-fluoro-6-pyrazol-1-yl-phenyl)methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285609
7-(4-bromo-3-chloro-benzoyl)-N-[(1R)-1-(2-fluoro-4-methoxy-phenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285642
N-[(1R)-1-[4-(2-amino-2-oxo-ethoxy)-2-pyrazol-1-yl-phenyl]ethyl]-7-(4-bromo-3-chloro-benzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285652

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164739163) is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccn(C)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is JGYJMYTWEQUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32BrClN6O4/c1-21-19-42-31(20-41(21)34(45)22-7-14-28(36)29(37)17-22)32(43(35(42)46)24-8-10-25(11-9-24)47-26-12-13-26)33(44)38-18-23-5-3-4-6-27(23)30-15-16-40(2)39-30/h3-11,14-17,21,26H,12-13,18-20H2,1-2H3,(H,38,44).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 716.04 g/mol, XLogP of 5.97, 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)-2-(4-cyclopropyloxyphenyl)-6-methyl-N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164739163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).