14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol

C84H88Cl4F3N15O2 — CID 160919885

About 14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol

14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol (PubChem CID 160919885) has the molecular formula C84H88Cl4F3N15O2 and a molecular weight of 1538.54 g/mol. Its IUPAC name is 14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol.

Molecular Properties

• Compound Name: 14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol
• PubChem CID: 160919885
• Molecular Formula: C84H88Cl4F3N15O2
• Molecular Weight: 1538.54 g/mol
• Exact Mass: 1535.60
• IUPAC Name: 14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol
• SMILES: COc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccccc2)CCN2CCCC12.Clc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)nc1.FC(F)(F)c1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1
• InChI: InChI=1S/C22H25N3O.C21H20ClF3N4.C21H23ClN4O.C20H20Cl2N4/c1-15-12-17-21-18-8-5-10-24(18)11-9-19(21)25(22(17)23-13-15)14-20(26)16-6-3-2-4-7-16;22-14-10-15-19-16-2-1-7-28(16)8-6-17(19)29(20(15)27-12-14)9-5-13-3-4-18(26-11-13)21(23,24)25;1-27-19-5-4-14(12-23-19)6-10-26-18-7-9-25-8-2-3-17(25)20(18)16-11-15(22)13-24-21(16)26;21-13-3-4-15(23-11-13)5-9-26-18-6-8-25-7-1-2-17(25)19(18)16-10-14(22)12-24-20(16)26/h2-4,6-7,12-13,18,20,26H,5,8-11,14H2,1H3;3-4,10-12,16H,1-2,5-9H2;4-5,11-13,17H,2-3,6-10H2,1H3;3-4,10-12,17H,1-2,5-9H2
• InChIKey: SRWQWDXMHIGHAZ-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 152.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1538.54
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol (CID 160919885) is 14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol.

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

The canonical SMILES for 14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol is COc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccccc2)CCN2CCCC12.Clc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)nc1.FC(F)(F)c1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1.

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

The InChIKey is SRWQWDXMHIGHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.C21H20ClF3N4.C21H23ClN4O.C20H20Cl2N4/c1-15-12-17-21-18-8-5-10-24(18)11-9-19(21)25(22(17)23-13-15)14-20(26)16-6-3-2-4-7-16;22-14-10-15-19-16-2-1-7-28(16)8-6-17(19)29(20(15)27-12-14)9-5-13-3-4-18(26-11-13)21(23,24)25;1-27-19-5-4-14(12-23-19)6-10-26-18-7-9-25-8-2-3-17(25)20(18)16-11-15(22)13-24-21(16)26;21-13-3-4-15(23-11-13)5-9-26-18-6-8-25-7-1-2-17(25)19(18)16-10-14(22)12-24-20(16)26/h2-4,6-7,12-13,18,20,26H,5,8-11,14H2,1H3;3-4,10-12,16H,1-2,5-9H2;4-5,11-13,17H,2-3,6-10H2,1H3;3-4,10-12,17H,1-2,5-9H2.

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

14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol has a molecular weight of 1538.54 g/mol, XLogP of 17.51, 13 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 14-chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-phenylethanol is sourced from PubChem (CID 160919885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).