(6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride

C68H68Br3Cl2N11O10 — CID 162213972

About (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride

(6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride (PubChem CID 162213972) has the molecular formula C68H68Br3Cl2N11O10 and a molecular weight of 1509.98 g/mol. Its IUPAC name is (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride.

Molecular Properties

• Compound Name: (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride
• PubChem CID: 162213972
• Molecular Formula: C68H68Br3Cl2N11O10
• Molecular Weight: 1509.98 g/mol
• Exact Mass: 1505.21
• IUPAC Name: (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride
• SMILES: COC(=O)C(=O)c1cn2c3c(cc(Br)cc13)CN(C(=O)N1CCCCC1)CC2.O=C(Cl)C(=O)Cl.O=C(N1CCCCC1)N1CCn2ccc3cc(Br)cc(c32)C1.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(Br)cc13)CN(C(=O)N1CCCCC1)CC2
• InChI: InChI=1S/C29H26BrN5O3.C20H22BrN3O4.C17H20BrN3O.C2Cl2O2/c30-19-12-18-16-34(29(38)32-7-3-1-4-8-32)11-10-33-17-21(20(13-19)28(18)33)26-23(36)14-24(37)27(26)22-15-31-25-6-2-5-9-35(22)25;1-28-19(26)18(25)16-12-23-7-8-24(20(27)22-5-3-2-4-6-22)11-13-9-14(21)10-15(16)17(13)23;18-15-10-13-4-7-19-8-9-21(12-14(11-15)16(13)19)17(22)20-5-2-1-3-6-20;3-1(5)2(4)6/h2,5-6,9,12-13,15,17H,1,3-4,7-8,10-11,14,16H2;9-10,12H,2-8,11H2,1H3;4,7,10-11H,1-3,5-6,8-9,12H2
• InChIKey: ZTFNXJKDHOPHGU-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 214.39 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1509.98
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride?

The IUPAC name of (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride (CID 162213972) is (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride.

What is the SMILES notation for (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride?

The canonical SMILES for (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride is COC(=O)C(=O)c1cn2c3c(cc(Br)cc13)CN(C(=O)N1CCCCC1)CC2.O=C(Cl)C(=O)Cl.O=C(N1CCCCC1)N1CCn2ccc3cc(Br)cc(c32)C1.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(Br)cc13)CN(C(=O)N1CCCCC1)CC2.

What is the InChIKey of (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride?

The InChIKey is ZTFNXJKDHOPHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26BrN5O3.C20H22BrN3O4.C17H20BrN3O.C2Cl2O2/c30-19-12-18-16-34(29(38)32-7-3-1-4-8-32)11-10-33-17-21(20(13-19)28(18)33)26-23(36)14-24(37)27(26)22-15-31-25-6-2-5-9-35(22)25;1-28-19(26)18(25)16-12-23-7-8-24(20(27)22-5-3-2-4-6-22)11-13-9-14(21)10-15(16)17(13)23;18-15-10-13-4-7-19-8-9-21(12-14(11-15)16(13)19)17(22)20-5-2-1-3-6-20;3-1(5)2(4)6/h2,5-6,9,12-13,15,17H,1,3-4,7-8,10-11,14,16H2;9-10,12H,2-8,11H2,1H3;4,7,10-11H,1-3,5-6,8-9,12H2;.

What are the key properties of (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride?

(6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride has a molecular weight of 1509.98 g/mol, XLogP of 12.45, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (6-bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-10-yl)-piperidin-1-ylmethanone;4-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;methyl 2-[6-bromo-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoacetate;oxalyl dichloride is sourced from PubChem (CID 162213972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).