14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene

C88H96F6N14O — CID 161180388

IUPAC14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
SMILESCOc1ccc(CCn2c3c(c4nc(CF)ccc42)C2CCCN2CC3)cc1.Cc1ncc2c(n1)c1c(n2CCc2ccc(F)cc2)CCN2CCCC12.Cc1ncc2c(n1)c1c(n2CCc2ccccc2)CCN2CCCC12.FCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C23H23F4N3.C23H26FN3O.C21H23FN4.C21H24N4/c24-14-17-7-8-20-22(28-17)21-18-2-1-11-29(18)12-10-19(21)30(20)13-9-15-3-5-16(6-4-15)23(25,26)27;1-28-18-7-4-16(5-8-18)10-14-27-20-11-13-26-12-2-3-19(26)22(20)23-21(27)9-6-17(15-24)25-23;1-14-23-13-19-21(24-14)20-17-3-2-10-25(17)11-9-18(20)26(19)12-8-15-4-6-16(22)7-5-15;1-15-22-14-19-21(23-15)20-17-8-5-11-24(17)12-10-18(20)25(19)13-9-16-6-3-2-4-7-16/h3-8,18H,1-2,9-14H2;4-9,19H,2-3,10-15H2,1H3;4-7,13,17H,2-3,8-12H2,1H3;2-4,6-7,14,17H,5,8-13H2,1H3
InChIKeyUSJGWZVBUHHNJB-UHFFFAOYSA-N
MW1479.82 g/mol
LogP17.40
Rot. Bonds15

About 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene

14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene (PubChem CID 161180388) has the molecular formula C88H96F6N14O and a molecular weight of 1479.82 g/mol. Its IUPAC name is 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene.

Molecular Properties

Compound Name14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
PubChem CID161180388
Molecular FormulaC88H96F6N14O
Molecular Weight1479.82 g/mol
Exact Mass1478.78
IUPAC Name14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
SMILESCOc1ccc(CCn2c3c(c4nc(CF)ccc42)C2CCCN2CC3)cc1.Cc1ncc2c(n1)c1c(n2CCc2ccc(F)cc2)CCN2CCCC12.Cc1ncc2c(n1)c1c(n2CCc2ccccc2)CCN2CCCC12.FCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C23H23F4N3.C23H26FN3O.C21H23FN4.C21H24N4/c24-14-17-7-8-20-22(28-17)21-18-2-1-11-29(18)12-10-19(21)30(20)13-9-15-3-5-16(6-4-15)23(25,26)27;1-28-18-7-4-16(5-8-18)10-14-27-20-11-13-26-12-2-3-19(26)22(20)23-21(27)9-6-17(15-24)25-23;1-14-23-13-19-21(24-14)20-17-3-2-10-25(17)11-9-18(20)26(19)12-8-15-4-6-16(22)7-5-15;1-15-22-14-19-21(23-15)20-17-8-5-11-24(17)12-10-18(20)25(19)13-9-16-6-3-2-4-7-16/h3-8,18H,1-2,9-14H2;4-9,19H,2-3,10-15H2,1H3;4-7,13,17H,2-3,8-12H2,1H3;2-4,6-7,14,17H,5,8-13H2,1H3
InChIKeyUSJGWZVBUHHNJB-UHFFFAOYSA-N
XLogP17.40
TPSA119.25 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001479.82
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene?
The IUPAC name of 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene (CID 161180388) is 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene.
What is the SMILES notation for 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene?
The canonical SMILES for 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene is COc1ccc(CCn2c3c(c4nc(CF)ccc42)C2CCCN2CC3)cc1.Cc1ncc2c(n1)c1c(n2CCc2ccc(F)cc2)CCN2CCCC12.Cc1ncc2c(n1)c1c(n2CCc2ccccc2)CCN2CCCC12.FCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12.
What is the InChIKey of 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene?
The InChIKey is USJGWZVBUHHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N3.C23H26FN3O.C21H23FN4.C21H24N4/c24-14-17-7-8-20-22(28-17)21-18-2-1-11-29(18)12-10-19(21)30(20)13-9-15-3-5-16(6-4-15)23(25,26)27;1-28-18-7-4-16(5-8-18)10-14-27-20-11-13-26-12-2-3-19(26)22(20)23-21(27)9-6-17(15-24)25-23;1-14-23-13-19-21(24-14)20-17-3-2-10-25(17)11-9-18(20)26(19)12-8-15-4-6-16(22)7-5-15;1-15-22-14-19-21(23-15)20-17-8-5-11-24(17)12-10-18(20)25(19)13-9-16-6-3-2-4-7-16/h3-8,18H,1-2,9-14H2;4-9,19H,2-3,10-15H2,1H3;4-7,13,17H,2-3,8-12H2,1H3;2-4,6-7,14,17H,5,8-13H2,1H3.
What are the key properties of 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene?
14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene has a molecular weight of 1479.82 g/mol, XLogP of 17.40, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(fluoromethyl)-10-[2-(4-methoxyphenyl)ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene is sourced from PubChem (CID 161180388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).