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

C37H37BrN6O5 — CID 165077775

IUPAC(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OCC(C)(C)O)cc4)c(=O)n3C[C@@H]2C)ccc1Br
InChIInChI=1S/C37H37BrN6O5/c1-23-17-25(9-14-30(23)38)35(46)42-20-32-33(34(45)40-18-26-7-5-6-8-29(26)31-15-16-39-22-41-31)44(36(47)43(32)19-24(42)2)27-10-12-28(13-11-27)49-21-37(3,4)48/h5-17,22,24,48H,18-21H2,1-4H3,(H,40,45)/t24-/m0/s1
InChIKeyLSLKTMJCEZFVDZ-DEOSSOPVSA-N
MW725.64 g/mol
LogP5.29
Rot. Bonds9

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

(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165077775) has the molecular formula C37H37BrN6O5 and a molecular weight of 725.64 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID165077775
Molecular FormulaC37H37BrN6O5
Molecular Weight725.64 g/mol
Exact Mass724.20
IUPAC Name(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OCC(C)(C)O)cc4)c(=O)n3C[C@@H]2C)ccc1Br
InChIInChI=1S/C37H37BrN6O5/c1-23-17-25(9-14-30(23)38)35(46)42-20-32-33(34(45)40-18-26-7-5-6-8-29(26)31-15-16-39-22-41-31)44(36(47)43(32)19-24(42)2)27-10-12-28(13-11-27)49-21-37(3,4)48/h5-17,22,24,48H,18-21H2,1-4H3,(H,40,45)/t24-/m0/s1
InChIKeyLSLKTMJCEZFVDZ-DEOSSOPVSA-N
XLogP5.29
TPSA131.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.64
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165077775) is (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OCC(C)(C)O)cc4)c(=O)n3C[C@@H]2C)ccc1Br.
What is the InChIKey of (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is LSLKTMJCEZFVDZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C37H37BrN6O5/c1-23-17-25(9-14-30(23)38)35(46)42-20-32-33(34(45)40-18-26-7-5-6-8-29(26)31-15-16-39-22-41-31)44(36(47)43(32)19-24(42)2)27-10-12-28(13-11-27)49-21-37(3,4)48/h5-17,22,24,48H,18-21H2,1-4H3,(H,40,45)/t24-/m0/s1.
What are the key properties of (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 725.64 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165077775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).