5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene

C19H19FN2 — CID 2737842

IUPAC5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene
SMILESCN1N=C2c3ccccc3CCCC2C1c1ccc(F)cc1
InChIInChI=1S/C19H19FN2/c1-22-19(14-9-11-15(20)12-10-14)17-8-4-6-13-5-2-3-7-16(13)18(17)21-22/h2-3,5,7,9-12,17,19H,4,6,8H2,1H3
InChIKeyMBUSHAIQEBBXMD-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.17
Rot. Bonds1

About 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene

5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene (PubChem CID 2737842) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene
PubChem CID2737842
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene
SMILESCN1N=C2c3ccccc3CCCC2C1c1ccc(F)cc1
InChIInChI=1S/C19H19FN2/c1-22-19(14-9-11-15(20)12-10-14)17-8-4-6-13-5-2-3-7-16(13)18(17)21-22/h2-3,5,7,9-12,17,19H,4,6,8H2,1H3
InChIKeyMBUSHAIQEBBXMD-UHFFFAOYSA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-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 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene (CID 2737842) is 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene is CN1N=C2c3ccccc3CCCC2C1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene?
The InChIKey is MBUSHAIQEBBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c1-22-19(14-9-11-15(20)12-10-14)17-8-4-6-13-5-2-3-7-16(13)18(17)21-22/h2-3,5,7,9-12,17,19H,4,6,8H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene?
5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene has a molecular weight of 294.37 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene is sourced from PubChem (CID 2737842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).