13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

C17H14FN3 — CID 22934131

IUPAC13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESFc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2
InChIInChI=1S/C17H14FN3/c18-12-8-7-11-4-3-6-14-16(13(11)10-12)21-17(20-14)15-5-1-2-9-19-15/h1-2,5,7-10H,3-4,6H2,(H,20,21)
InChIKeyRUJDYJGDJWCUGE-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.77
Rot. Bonds1

About 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (PubChem CID 22934131) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.

Molecular Properties

Compound Name13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
PubChem CID22934131
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESFc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2
InChIInChI=1S/C17H14FN3/c18-12-8-7-11-4-3-6-14-16(13(11)10-12)21-17(20-14)15-5-1-2-9-19-15/h1-2,5,7-10H,3-4,6H2,(H,20,21)
InChIKeyRUJDYJGDJWCUGE-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene 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 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The IUPAC name of 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (CID 22934131) is 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.
What is the SMILES notation for 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The canonical SMILES for 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is Fc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2.
What is the InChIKey of 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The InChIKey is RUJDYJGDJWCUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c18-12-8-7-11-4-3-6-14-16(13(11)10-12)21-17(20-14)15-5-1-2-9-19-15/h1-2,5,7-10H,3-4,6H2,(H,20,21).
What are the key properties of 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene has a molecular weight of 279.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is sourced from PubChem (CID 22934131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).