9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

C167H172Br2N34O22 — CID 167654265

About 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (PubChem CID 167654265) has the molecular formula C167H172Br2N34O22 and a molecular weight of 3167.24 g/mol. Its IUPAC name is 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.

Molecular Properties

• Compound Name: 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
• PubChem CID: 167654265
• Molecular Formula: C167H172Br2N34O22
• Molecular Weight: 3167.24 g/mol
• Exact Mass: 3163.18
• IUPAC Name: 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
• SMILES: C=C1CCC(N2C(=O)c3cccc4c(Br)cnc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Br)ncc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)cnc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ncc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)cnc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ncc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4cccc2c34)C(=O)N1
• InChI: InChI=1S/2C30H34N6O4.2C29H33N7O4.C17H14N2O2.2C16H12BrN3O2/c1-18-8-9-24(27(37)33-18)36-26-25-22(6-5-7-23(25)28(36)38)20(16-31-26)14-19-15-32-35(17-19)21-10-12-34(13-11-21)29(39)40-30(2,3)4;1-18-8-9-24(27(37)33-18)36-25-16-31-23(21-6-5-7-22(26(21)25)28(36)38)14-19-15-32-35(17-19)20-10-12-34(13-11-20)29(39)40-30(2,3)4;1-17-8-9-23(26(37)32-17)36-25-24-20(6-5-7-21(24)27(36)38)22(15-30-25)33-18-14-31-35(16-18)19-10-12-34(13-11-19)28(39)40-29(2,3)4;1-17-8-9-22(26(37)32-17)36-23-15-30-25(20-6-5-7-21(24(20)23)27(36)38)33-18-14-31-35(16-18)19-10-12-34(13-11-19)28(39)40-29(2,3)4;1-10-8-9-14(16(20)18-10)19-13-7-3-5-11-4-2-6-12(15(11)13)17(19)21;1-8-5-6-12(15(21)19-8)20-14-13-9(11(17)7-18-14)3-2-4-10(13)16(20)22;1-8-5-6-11(15(21)19-8)20-12-7-18-14(17)9-3-2-4-10(13(9)12)16(20)22/h5-7,15-17,21,24H,1,8-14H2,2-4H3,(H,33,37);5-7,15-17,20,24H,1,8-14H2,2-4H3,(H,33,37);5-7,14-16,19,23,33H,1,8-13H2,2-4H3,(H,32,37);5-7,14-16,19,22H,1,8-13H2,2-4H3,(H,30,33)(H,32,37);2-7,14H,1,8-9H2,(H,18,20);2-4,7,12H,1,5-6H2,(H,19,21);2-4,7,11H,1,5-6H2,(H,19,21)
• InChIKey: RAHBCGBYOFIRPZ-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 636.71 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 19
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3167.24
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?

The IUPAC name of 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (CID 167654265) is 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.

What is the SMILES notation for 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?

The canonical SMILES for 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is C=C1CCC(N2C(=O)c3cccc4c(Br)cnc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Br)ncc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)cnc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ncc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)cnc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ncc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4cccc2c34)C(=O)N1.

What is the InChIKey of 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?

The InChIKey is RAHBCGBYOFIRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H34N6O4.2C29H33N7O4.C17H14N2O2.2C16H12BrN3O2/c1-18-8-9-24(27(37)33-18)36-26-25-22(6-5-7-23(25)28(36)38)20(16-31-26)14-19-15-32-35(17-19)21-10-12-34(13-11-21)29(39)40-30(2,3)4;1-18-8-9-24(27(37)33-18)36-25-16-31-23(21-6-5-7-22(26(21)25)28(36)38)14-19-15-32-35(17-19)20-10-12-34(13-11-20)29(39)40-30(2,3)4;1-17-8-9-23(26(37)32-17)36-25-24-20(6-5-7-21(24)27(36)38)22(15-30-25)33-18-14-31-35(16-18)19-10-12-34(13-11-19)28(39)40-29(2,3)4;1-17-8-9-22(26(37)32-17)36-23-15-30-25(20-6-5-7-21(24(20)23)27(36)38)33-18-14-31-35(16-18)19-10-12-34(13-11-19)28(39)40-29(2,3)4;1-10-8-9-14(16(20)18-10)19-13-7-3-5-11-4-2-6-12(15(11)13)17(19)21;1-8-5-6-12(15(21)19-8)20-14-13-9(11(17)7-18-14)3-2-4-10(13)16(20)22;1-8-5-6-11(15(21)19-8)20-12-7-18-14(17)9-3-2-4-10(13(9)12)16(20)22/h5-7,15-17,21,24H,1,8-14H2,2-4H3,(H,33,37);5-7,15-17,20,24H,1,8-14H2,2-4H3,(H,33,37);5-7,14-16,19,23,33H,1,8-13H2,2-4H3,(H,32,37);5-7,14-16,19,22H,1,8-13H2,2-4H3,(H,30,33)(H,32,37);2-7,14H,1,8-9H2,(H,18,20);2-4,7,12H,1,5-6H2,(H,19,21);2-4,7,11H,1,5-6H2,(H,19,21).

What are the key properties of 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?

9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one has a molecular weight of 3167.24 g/mol, XLogP of 25.78, 19 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;9-bromo-2-(6-methylidene-2-oxopiperidin-3-yl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is sourced from PubChem (CID 167654265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).