7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C100H83ClF8N12O6 — CID 157424102

About 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 157424102) has the molecular formula C100H83ClF8N12O6 and a molecular weight of 1736.28 g/mol. Its IUPAC name is 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

• Compound Name: 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
• PubChem CID: 157424102
• Molecular Formula: C100H83ClF8N12O6
• Molecular Weight: 1736.28 g/mol
• Exact Mass: 1734.61
• IUPAC Name: 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
• SMILES: CCc1c(-c2cccnc2)cc2c3c1CCN3C(=O)CC2.O=C1CCc2c(Cl)c(-c3cccnc3)cc3c2N1CC3.O=C1CCc2c(F)c(-c3cccnc3)cc3c2N1CC3.O=C1CCc2c3c(cc(-c4cccnc4)c2C(F)(F)F)CCN13.O=C1CCc2cc(-c3cccnc3)c(C(F)(F)F)c3c2N1CC3.O=C1CCc2cc(-c3cccnc3)c(F)c3c2N1CC3
• InChI: InChI=1S/C18H18N2O.2C17H13F3N2O.C16H13ClN2O.2C16H13FN2O/c1-2-14-15-7-9-20-17(21)6-5-12(18(15)20)10-16(14)13-4-3-8-19-11-13;18-17(19,20)15-12-3-4-14(23)22-7-5-10(16(12)22)8-13(15)11-2-1-6-21-9-11;18-17(19,20)15-12-5-7-22-14(23)4-3-10(16(12)22)8-13(15)11-2-1-6-21-9-11;2*17-15-12-3-4-14(20)19-7-5-10(16(12)19)8-13(15)11-2-1-6-18-9-11;17-15-12-5-7-19-14(20)4-3-10(16(12)19)8-13(15)11-2-1-6-18-9-11/h3-4,8,10-11H,2,5-7,9H2,1H3;2*1-2,6,8-9H,3-5,7H2;3*1-2,6,8-9H,3-5,7H2
• InChIKey: BPTIOOAGOIFIHK-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 199.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.28
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?

The IUPAC name of 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 157424102) is 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

What is the SMILES notation for 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?

The canonical SMILES for 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is CCc1c(-c2cccnc2)cc2c3c1CCN3C(=O)CC2.O=C1CCc2c(Cl)c(-c3cccnc3)cc3c2N1CC3.O=C1CCc2c(F)c(-c3cccnc3)cc3c2N1CC3.O=C1CCc2c3c(cc(-c4cccnc4)c2C(F)(F)F)CCN13.O=C1CCc2cc(-c3cccnc3)c(C(F)(F)F)c3c2N1CC3.O=C1CCc2cc(-c3cccnc3)c(F)c3c2N1CC3.

What is the InChIKey of 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?

The InChIKey is BPTIOOAGOIFIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.2C17H13F3N2O.C16H13ClN2O.2C16H13FN2O/c1-2-14-15-7-9-20-17(21)6-5-12(18(15)20)10-16(14)13-4-3-8-19-11-13;18-17(19,20)15-12-3-4-14(23)22-7-5-10(16(12)22)8-13(15)11-2-1-6-21-9-11;18-17(19,20)15-12-5-7-22-14(23)4-3-10(16(12)22)8-13(15)11-2-1-6-21-9-11;2*17-15-12-3-4-14(20)19-7-5-10(16(12)19)8-13(15)11-2-1-6-18-9-11;17-15-12-5-7-19-14(20)4-3-10(16(12)19)8-13(15)11-2-1-6-18-9-11/h3-4,8,10-11H,2,5-7,9H2,1H3;2*1-2,6,8-9H,3-5,7H2;3*1-2,6,8-9H,3-5,7H2.

What are the key properties of 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?

7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 1736.28 g/mol, XLogP of 19.03, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-ethyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;5-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-pyridin-3-yl-5-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;6-pyridin-3-yl-7-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 157424102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).