(11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide

C180H178Br6N40O16 — CID 164979193

About (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide

(11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide (PubChem CID 164979193) has the molecular formula C180H178Br6N40O16 and a molecular weight of 3637.09 g/mol. Its IUPAC name is (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide
• PubChem CID: 164979193
• Molecular Formula: C180H178Br6N40O16
• Molecular Weight: 3637.09 g/mol
• Exact Mass: 3628.94
• IUPAC Name: (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide
• SMILES: C=CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@@H](C)N(C(=O)c1ccc(Br)c(C)c1)C3.C=CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@H](C)N(C(=O)c1ccc(Br)c(C)c1)C3.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C)c2)[C@@H](C)C3)nn1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C)c2)[C@H](C)C3)nn1.Cc1cc(C(=O)N2Cc3c(c(=O)n(-c4cc(C5=NN=CC5C)n(C)n4)c4c(Cc5ccccc5)cnn34)C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(c(=O)n(-c4cc(C5=NN=CC5C)n(C)n4)c4c(Cc5ccccc5)cnn34)C[C@H]2C)ccc1Br
• InChI: InChI=1S/2C33H31BrN8O2.2C29H28BrN5O3.2C28H30BrN7O3/c2*1-19-12-23(10-11-26(19)34)32(43)40-18-28-25(13-21(40)3)33(44)41(29-15-27(39(4)38-29)30-20(2)16-35-37-30)31-24(17-36-42(28)31)14-22-8-6-5-7-9-22;2*1-5-6-21-15-32-35-25-16-33(28(37)20-9-12-24(30)17(2)13-20)18(3)14-23(25)29(38)34(27(21)35)22-10-7-19(8-11-22)26(36)31-4;2*1-15(2)10-19-13-31-36-23-14-34(27(38)18-6-7-21(29)16(3)11-18)17(4)12-20(23)28(39)35(26(19)36)24-9-8-22(32-33-24)25(37)30-5/h2*5-12,15-17,20-21H,13-14,18H2,1-4H3;2*5,7-13,15,18H,1,6,14,16H2,2-4H3,(H,31,36);2*6-9,11,13,15,17H,10,12,14H2,1-5H3,(H,30,37)/t2*20?,21-;2*18-;2*17-/m101010/s1
• InChIKey: FFOFOZYKHYQSDM-SHZJWPGFSA-N
• XLogP: 25.23
• TPSA: 610.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 30
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3637.09
LogP ≤ 5	25.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The IUPAC name of (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide (CID 164979193) is (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide.

What is the SMILES notation for (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The canonical SMILES for (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide is C=CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@@H](C)N(C(=O)c1ccc(Br)c(C)c1)C3.C=CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@H](C)N(C(=O)c1ccc(Br)c(C)c1)C3.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C)c2)[C@@H](C)C3)nn1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C)c2)[C@H](C)C3)nn1.Cc1cc(C(=O)N2Cc3c(c(=O)n(-c4cc(C5=NN=CC5C)n(C)n4)c4c(Cc5ccccc5)cnn34)C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(c(=O)n(-c4cc(C5=NN=CC5C)n(C)n4)c4c(Cc5ccccc5)cnn34)C[C@H]2C)ccc1Br.

What is the InChIKey of (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

The InChIKey is FFOFOZYKHYQSDM-SHZJWPGFSA-N. The full InChI is InChI=1S/2C33H31BrN8O2.2C29H28BrN5O3.2C28H30BrN7O3/c2*1-19-12-23(10-11-26(19)34)32(43)40-18-28-25(13-21(40)3)33(44)41(29-15-27(39(4)38-29)30-20(2)16-35-37-30)31-24(17-36-42(28)31)14-22-8-6-5-7-9-22;2*1-5-6-21-15-32-35-25-16-33(28(37)20-9-12-24(30)17(2)13-20)18(3)14-23(25)29(38)34(27(21)35)22-10-7-19(8-11-22)26(36)31-4;2*1-15(2)10-19-13-31-36-23-14-34(27(38)18-6-7-21(29)16(3)11-18)17(4)12-20(23)28(39)35(26(19)36)24-9-8-22(32-33-24)25(37)30-5/h2*5-12,15-17,20-21H,13-14,18H2,1-4H3;2*5,7-13,15,18H,1,6,14,16H2,2-4H3,(H,31,36);2*6-9,11,13,15,17H,10,12,14H2,1-5H3,(H,30,37)/t2*20?,21-;2*18-;2*17-/m101010/s1.

What are the key properties of (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide?

(11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide has a molecular weight of 3637.09 g/mol, XLogP of 25.23, 30 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (11S)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;(11R)-5-benzyl-12-(4-bromo-3-methylbenzoyl)-11-methyl-7-[1-methyl-5-(4-methyl-4H-pyrazol-3-yl)pyrazol-3-yl]-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;6-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;6-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylpyridazine-3-carboxamide;4-[(11S)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-enyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide is sourced from PubChem (CID 164979193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).