11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene

C24H28FN3 — CID 118401266

IUPAC11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(CF)cc2)CCN2CCCCC12
InChIInChI=1S/C24H28FN3/c1-17-5-10-22-24(26-17)23-20-4-2-3-13-27(20)14-12-21(23)28(22)15-11-18-6-8-19(16-25)9-7-18/h5-10,20H,2-4,11-16H2,1H3
InChIKeyWIYXPALJZZCVBX-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.14
Rot. Bonds4

About 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene

11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene (PubChem CID 118401266) has the molecular formula C24H28FN3 and a molecular weight of 377.51 g/mol. Its IUPAC name is 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene.

Molecular Properties

Compound Name11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
PubChem CID118401266
Molecular FormulaC24H28FN3
Molecular Weight377.51 g/mol
Exact Mass377.23
IUPAC Name11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(CF)cc2)CCN2CCCCC12
InChIInChI=1S/C24H28FN3/c1-17-5-10-22-24(26-17)23-20-4-2-3-13-27(20)14-12-21(23)28(22)15-11-18-6-8-19(16-25)9-7-18/h5-10,20H,2-4,11-16H2,1H3
InChIKeyWIYXPALJZZCVBX-UHFFFAOYSA-N
XLogP5.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),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 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The IUPAC name of 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene (CID 118401266) is 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene.
What is the SMILES notation for 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The canonical SMILES for 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene is Cc1ccc2c(n1)c1c(n2CCc2ccc(CF)cc2)CCN2CCCCC12.
What is the InChIKey of 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The InChIKey is WIYXPALJZZCVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3/c1-17-5-10-22-24(26-17)23-20-4-2-3-13-27(20)14-12-21(23)28(22)15-11-18-6-8-19(16-25)9-7-18/h5-10,20H,2-4,11-16H2,1H3.
What are the key properties of 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene has a molecular weight of 377.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[4-(fluoromethyl)phenyl]ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene is sourced from PubChem (CID 118401266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).