6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate

C55H57Br2Cl3N8O12S — CID 167591951

About 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate

6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate (PubChem CID 167591951) has the molecular formula C55H57Br2Cl3N8O12S and a molecular weight of 1320.34 g/mol. Its IUPAC name is 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate.

Molecular Properties

• Compound Name: 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate
• PubChem CID: 167591951
• Molecular Formula: C55H57Br2Cl3N8O12S
• Molecular Weight: 1320.34 g/mol
• Exact Mass: 1316.12
• IUPAC Name: 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate
• SMILES: CC1COS(=O)(=O)N1C(=O)OC(C)(C)C.CC1Cn2ccc3cc(Br)c(Cl)c(c32)C(=O)N1.COC(=O)c1c(Cl)c(Br)cc2cc[nH]c12.COc1cc(C)[nH]c(=O)c1CN1C(=O)c2c(Cl)c(-c3c(C)noc3C)cc3ccn(c23)CC1C
• InChI: InChI=1S/C25H25ClN4O4.C12H10BrClN2O.C10H7BrClNO2.C8H15NO5S/c1-12-8-19(33-5)18(24(31)27-12)11-30-13(2)10-29-7-6-16-9-17(20-14(3)28-34-15(20)4)22(26)21(23(16)29)25(30)32;1-6-5-16-3-2-7-4-8(13)10(14)9(11(7)16)12(17)15-6;1-15-10(14)7-8(12)6(11)4-5-2-3-13-9(5)7;1-6-5-13-15(11,12)9(6)7(10)14-8(2,3)4/h6-9,13H,10-11H2,1-5H3,(H,27,31);2-4,6H,5H2,1H3,(H,15,17);2-4,13H,1H3;6H,5H2,1-4H3
• InChIKey: INXCHJVYLSSBSL-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 242.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1320.34
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate?

The IUPAC name of 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate (CID 167591951) is 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate.

What is the SMILES notation for 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate?

The canonical SMILES for 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate is CC1COS(=O)(=O)N1C(=O)OC(C)(C)C.CC1Cn2ccc3cc(Br)c(Cl)c(c32)C(=O)N1.COC(=O)c1c(Cl)c(Br)cc2cc[nH]c12.COc1cc(C)[nH]c(=O)c1CN1C(=O)c2c(Cl)c(-c3c(C)noc3C)cc3ccn(c23)CC1C.

What is the InChIKey of 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate?

The InChIKey is INXCHJVYLSSBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4.C12H10BrClN2O.C10H7BrClNO2.C8H15NO5S/c1-12-8-19(33-5)18(24(31)27-12)11-30-13(2)10-29-7-6-16-9-17(20-14(3)28-34-15(20)4)22(26)21(23(16)29)25(30)32;1-6-5-16-3-2-7-4-8(13)10(14)9(11(7)16)12(17)15-6;1-15-10(14)7-8(12)6(11)4-5-2-3-13-9(5)7;1-6-5-13-15(11,12)9(6)7(10)14-8(2,3)4/h6-9,13H,10-11H2,1-5H3,(H,27,31);2-4,6H,5H2,1H3,(H,15,17);2-4,13H,1H3;6H,5H2,1-4H3.

What are the key properties of 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate?

6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate has a molecular weight of 1320.34 g/mol, XLogP of 12.06, 5 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7-chloro-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;tert-butyl 4-methyl-2,2-dioxooxathiazolidine-3-carboxylate;7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-11-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methyl 5-bromo-6-chloro-1H-indole-7-carboxylate is sourced from PubChem (CID 167591951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).