7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C37H38BrN7O4 — CID 165010454

IUPAC7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN[C@@H](C)COc1ccc(-n2c(C(=O)NCc3ccccc3-c3ncccn3)c3n(c2=O)CC(C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1
InChIInChI=1S/C37H38BrN7O4/c1-23-18-26(10-15-31(23)38)36(47)43-21-32-33(35(46)42-19-27-8-5-6-9-30(27)34-40-16-7-17-41-34)45(37(48)44(32)20-25(43)3)28-11-13-29(14-12-28)49-22-24(2)39-4/h5-18,24-25,39H,19-22H2,1-4H3,(H,42,46)/t24-,25?/m0/s1
InChIKeyNXPTYWZNUYXRJT-SKCDSABHSA-N
MW724.66 g/mol
LogP5.13
Rot. Bonds10

About 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165010454) has the molecular formula C37H38BrN7O4 and a molecular weight of 724.66 g/mol. Its IUPAC name is 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID165010454
Molecular FormulaC37H38BrN7O4
Molecular Weight724.66 g/mol
Exact Mass723.22
IUPAC Name7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN[C@@H](C)COc1ccc(-n2c(C(=O)NCc3ccccc3-c3ncccn3)c3n(c2=O)CC(C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1
InChIInChI=1S/C37H38BrN7O4/c1-23-18-26(10-15-31(23)38)36(47)43-21-32-33(35(46)42-19-27-8-5-6-9-30(27)34-40-16-7-17-41-34)45(37(48)44(32)20-25(43)3)28-11-13-29(14-12-28)49-22-24(2)39-4/h5-18,24-25,39H,19-22H2,1-4H3,(H,42,46)/t24-,25?/m0/s1
InChIKeyNXPTYWZNUYXRJT-SKCDSABHSA-N
XLogP5.13
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.66
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-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-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165010454) is 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CN[C@@H](C)COc1ccc(-n2c(C(=O)NCc3ccccc3-c3ncccn3)c3n(c2=O)CC(C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.
What is the InChIKey of 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is NXPTYWZNUYXRJT-SKCDSABHSA-N. The full InChI is InChI=1S/C37H38BrN7O4/c1-23-18-26(10-15-31(23)38)36(47)43-21-32-33(35(46)42-19-27-8-5-6-9-30(27)34-40-16-7-17-41-34)45(37(48)44(32)20-25(43)3)28-11-13-29(14-12-28)49-22-24(2)39-4/h5-18,24-25,39H,19-22H2,1-4H3,(H,42,46)/t24-,25?/m0/s1.
What are the key properties of 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 724.66 g/mol, XLogP of 5.13, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2S)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165010454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).