11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one

C12H9FN4O — CID 137083655

IUPAC11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one
SMILESO=c1nnc2c3c4c(cc(F)cc14)NC3CNC2
InChIInChI=1S/C12H9FN4O/c13-5-1-6-10-7(2-5)15-8-3-14-4-9(11(8)10)16-17-12(6)18/h1-2,8,14-15H,3-4H2
InChIKeyPCKFHZDVRHKTIT-UHFFFAOYSA-N
MW244.23 g/mol
LogP0.70
Rot. Bonds

About 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one

11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one (PubChem CID 137083655) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one.

Molecular Properties

Compound Name11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one
PubChem CID137083655
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one
SMILESO=c1nnc2c3c4c(cc(F)cc14)NC3CNC2
InChIInChI=1S/C12H9FN4O/c13-5-1-6-10-7(2-5)15-8-3-14-4-9(11(8)10)16-17-12(6)18/h1-2,8,14-15H,3-4H2
InChIKeyPCKFHZDVRHKTIT-UHFFFAOYSA-N
XLogP0.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one 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-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one?
The IUPAC name of 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one (CID 137083655) is 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one.
What is the SMILES notation for 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one?
The canonical SMILES for 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one is O=c1nnc2c3c4c(cc(F)cc14)NC3CNC2.
What is the InChIKey of 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one?
The InChIKey is PCKFHZDVRHKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c13-5-1-6-10-7(2-5)15-8-3-14-4-9(11(8)10)16-17-12(6)18/h1-2,8,14-15H,3-4H2.
What are the key properties of 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one?
11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one has a molecular weight of 244.23 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaen-8-one is sourced from PubChem (CID 137083655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).