14-methyl-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

C23H24F3N3 — CID 71007645

IUPAC14-methyl-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
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C23H24F3N3/c1-15-4-9-20-22(27-15)21-18-3-2-12-28(18)13-11-19(21)29(20)14-10-16-5-7-17(8-6-16)23(24,25)26/h4-9,18H,2-3,10-14H2,1H3
InChIKeyICQFGZWMFPXMKI-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.30
Rot. Bonds3

About 14-methyl-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

14-methyl-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 (PubChem CID 71007645) has the molecular formula C23H24F3N3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 14-methyl-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.

Molecular Properties

Compound Name14-methyl-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
PubChem CID71007645
Molecular FormulaC23H24F3N3
Molecular Weight399.46 g/mol
Exact Mass399.19
IUPAC Name14-methyl-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
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C23H24F3N3/c1-15-4-9-20-22(27-15)21-18-3-2-12-28(18)13-11-19(21)29(20)14-10-16-5-7-17(8-6-16)23(24,25)26/h4-9,18H,2-3,10-14H2,1H3
InChIKeyICQFGZWMFPXMKI-UHFFFAOYSA-N
XLogP5.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-methyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-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?
The IUPAC name of 14-methyl-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 (CID 71007645) is 14-methyl-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.
What is the SMILES notation for 14-methyl-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?
The canonical SMILES for 14-methyl-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 is Cc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12.
What is the InChIKey of 14-methyl-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?
The InChIKey is ICQFGZWMFPXMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3/c1-15-4-9-20-22(27-15)21-18-3-2-12-28(18)13-11-19(21)29(20)14-10-16-5-7-17(8-6-16)23(24,25)26/h4-9,18H,2-3,10-14H2,1H3.
What are the key properties of 14-methyl-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?
14-methyl-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 has a molecular weight of 399.46 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-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 is sourced from PubChem (CID 71007645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).