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

C36H35BrN6O5 — CID 165021290

IUPAC(6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(OC[C@H](C)O)cc4)c(=O)n3C[C@H]2C)ccc1Br
InChIInChI=1S/C36H35BrN6O5/c1-22-17-25(10-15-30(22)37)35(46)41-20-32-33(34(45)38-18-26-7-4-5-8-29(26)31-9-6-16-39-40-31)43(36(47)42(32)19-23(41)2)27-11-13-28(14-12-27)48-21-24(3)44/h4-17,23-24,44H,18-21H2,1-3H3,(H,38,45)/t23-,24+/m1/s1
InChIKeyLEVRLJGMYORDLX-RPWUZVMVSA-N
MW711.62 g/mol
LogP4.90
Rot. Bonds9

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

(6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165021290) has the molecular formula C36H35BrN6O5 and a molecular weight of 711.62 g/mol. Its IUPAC name is (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID165021290
Molecular FormulaC36H35BrN6O5
Molecular Weight711.62 g/mol
Exact Mass710.19
IUPAC Name(6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(OC[C@H](C)O)cc4)c(=O)n3C[C@H]2C)ccc1Br
InChIInChI=1S/C36H35BrN6O5/c1-22-17-25(10-15-30(22)37)35(46)41-20-32-33(34(45)38-18-26-7-4-5-8-29(26)31-9-6-16-39-40-31)43(36(47)42(32)19-23(41)2)27-11-13-28(14-12-27)48-21-24(3)44/h4-17,23-24,44H,18-21H2,1-3H3,(H,38,45)/t23-,24+/m1/s1
InChIKeyLEVRLJGMYORDLX-RPWUZVMVSA-N
XLogP4.90
TPSA131.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.62
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-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 (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165021290) is (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(OC[C@H](C)O)cc4)c(=O)n3C[C@H]2C)ccc1Br.
What is the InChIKey of (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is LEVRLJGMYORDLX-RPWUZVMVSA-N. The full InChI is InChI=1S/C36H35BrN6O5/c1-22-17-25(10-15-30(22)37)35(46)41-20-32-33(34(45)38-18-26-7-4-5-8-29(26)31-9-6-16-39-40-31)43(36(47)42(32)19-23(41)2)27-11-13-28(14-12-27)48-21-24(3)44/h4-17,23-24,44H,18-21H2,1-3H3,(H,38,45)/t23-,24+/m1/s1.
What are the key properties of (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
(6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 711.62 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165021290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).