10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C86H92ClF7N16O — CID 159658063

About 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 159658063) has the molecular formula C86H92ClF7N16O and a molecular weight of 1534.23 g/mol. Its IUPAC name is 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

• Compound Name: 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
• PubChem CID: 159658063
• Molecular Formula: C86H92ClF7N16O
• Molecular Weight: 1534.23 g/mol
• Exact Mass: 1532.72
• IUPAC Name: 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
• SMILES: COc1ccc(CCn2c3c(c4nc(CF)ccc42)C2CCCN2CC3)cn1.FCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CCN2CCCC12.FCc1ccc2c(n1)c1c(n2CCc2ccc(Cl)cn2)CCN2CCCC12.FCc1ccc2c(n1)c1c(n2CCc2cccnc2)CCN2CCCC12
• InChI: InChI=1S/C22H22F4N4.C22H25FN4O.C21H22ClFN4.C21H23FN4/c23-12-15-4-5-18-21(28-15)20-16-2-1-9-29(16)10-8-17(20)30(18)11-7-14-3-6-19(27-13-14)22(24,25)26;1-28-20-7-4-15(14-24-20)8-12-27-18-9-11-26-10-2-3-17(26)21(18)22-19(27)6-5-16(13-23)25-22;22-14-3-4-15(24-13-14)7-11-27-18-8-10-26-9-1-2-17(26)20(18)21-19(27)6-5-16(12-23)25-21;22-13-16-5-6-19-21(24-16)20-17-4-2-10-25(17)11-8-18(20)26(19)12-7-15-3-1-9-23-14-15/h3-6,13,16H,1-2,7-12H2;4-7,14,17H,2-3,8-13H2,1H3;3-6,13,17H,1-2,7-12H2;1,3,5-6,9,14,17H,2,4,7-8,10-13H2
• InChIKey: MSKVFPGNUFGCCB-UHFFFAOYSA-N
• XLogP: 17.03
• TPSA: 145.03 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.23
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The IUPAC name of 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 159658063) is 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

What is the SMILES notation for 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The canonical SMILES for 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is COc1ccc(CCn2c3c(c4nc(CF)ccc42)C2CCCN2CC3)cn1.FCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CCN2CCCC12.FCc1ccc2c(n1)c1c(n2CCc2ccc(Cl)cn2)CCN2CCCC12.FCc1ccc2c(n1)c1c(n2CCc2cccnc2)CCN2CCCC12.

What is the InChIKey of 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The InChIKey is MSKVFPGNUFGCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4.C22H25FN4O.C21H22ClFN4.C21H23FN4/c23-12-15-4-5-18-21(28-15)20-16-2-1-9-29(16)10-8-17(20)30(18)11-7-14-3-6-19(27-13-14)22(24,25)26;1-28-20-7-4-15(14-24-20)8-12-27-18-9-11-26-10-2-3-17(26)21(18)22-19(27)6-5-16(13-23)25-22;22-14-3-4-15(24-13-14)7-11-27-18-8-10-26-9-1-2-17(26)20(18)21-19(27)6-5-16(12-23)25-21;22-13-16-5-6-19-21(24-16)20-17-4-2-10-25(17)11-8-18(20)26(19)12-7-15-3-1-9-23-14-15/h3-6,13,16H,1-2,7-12H2;4-7,14,17H,2-3,8-13H2,1H3;3-6,13,17H,1-2,7-12H2;1,3,5-6,9,14,17H,2,4,7-8,10-13H2.

What are the key properties of 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 1534.23 g/mol, XLogP of 17.03, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-(5-chloro-2-pyridinyl)ethyl]-14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-(2-pyridin-3-ylethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 159658063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).