(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C70H60Br2Cl2N12O8 — CID 165080427

IUPAC(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESC[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.C[C@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/2C35H30BrClN6O4/c2*1-21-19-42-30(20-41(21)34(45)22-7-14-28(36)29(37)17-22)31(43(35(42)46)24-8-10-25(11-9-24)47-26-12-13-26)33(44)40-18-23-5-2-3-6-27(23)32-38-15-4-16-39-32/h2*2-11,14-17,21,26H,12-13,18-20H2,1H3,(H,40,44)/t2*21-/m10/s1
InChIKeyVADMMUAKKZQIAB-FUAXNEBDSA-N
MW1428.04 g/mol
LogP12.06
Rot. Bonds16

About (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165080427) has the molecular formula C70H60Br2Cl2N12O8 and a molecular weight of 1428.04 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID165080427
Molecular FormulaC70H60Br2Cl2N12O8
Molecular Weight1428.04 g/mol
Exact Mass1424.24
IUPAC Name(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESC[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.C[C@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/2C35H30BrClN6O4/c2*1-21-19-42-30(20-41(21)34(45)22-7-14-28(36)29(37)17-22)31(43(35(42)46)24-8-10-25(11-9-24)47-26-12-13-26)33(44)40-18-23-5-2-3-6-27(23)32-38-15-4-16-39-32/h2*2-11,14-17,21,26H,12-13,18-20H2,1H3,(H,40,44)/t2*21-/m10/s1
InChIKeyVADMMUAKKZQIAB-FUAXNEBDSA-N
XLogP12.06
TPSA222.70 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001428.04
LogP ≤ 512.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-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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Related Compounds

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
(6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739234
(6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739271
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285403
(6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739151
7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739229
(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165035640
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
(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165035639
(6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-2-(4-propoxyphenyl)-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 167027482
(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164982224
7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165070346

Frequently Asked Questions

What is the IUPAC name of (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165080427) is (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-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 (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.C[C@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ncccn3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is VADMMUAKKZQIAB-FUAXNEBDSA-N. The full InChI is InChI=1S/2C35H30BrClN6O4/c2*1-21-19-42-30(20-41(21)34(45)22-7-14-28(36)29(37)17-22)31(43(35(42)46)24-8-10-25(11-9-24)47-26-12-13-26)33(44)40-18-23-5-2-3-6-27(23)32-38-15-4-16-39-32/h2*2-11,14-17,21,26H,12-13,18-20H2,1H3,(H,40,44)/t2*21-/m10/s1.
What are the key properties of (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 1428.04 g/mol, XLogP of 12.06, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165080427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).