13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

C13H7FN4 — CID 59113303

IUPAC13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESFc1ccc2nc3nc4ccccc4nc3n2c1
InChIInChI=1S/C13H7FN4/c14-8-5-6-11-17-12-13(18(11)7-8)16-10-4-2-1-3-9(10)15-12/h1-7H
InChIKeyGEUVILQGGLJFRC-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.57
Rot. Bonds

About 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (PubChem CID 59113303) has the molecular formula C13H7FN4 and a molecular weight of 238.23 g/mol. Its IUPAC name is 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.

Molecular Properties

Compound Name13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
PubChem CID59113303
Molecular FormulaC13H7FN4
Molecular Weight238.23 g/mol
Exact Mass238.07
IUPAC Name13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESFc1ccc2nc3nc4ccccc4nc3n2c1
InChIInChI=1S/C13H7FN4/c14-8-5-6-11-17-12-13(18(11)7-8)16-10-4-2-1-3-9(10)15-12/h1-7H
InChIKeyGEUVILQGGLJFRC-UHFFFAOYSA-N
XLogP2.57
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoropyrido[1,2-a]benzimidazole
CID 125485836
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline
CID 2331215
5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 23257799
3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 921658
phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone
CID 14572739
6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine
CID 63616620
6-fluoro-3-(3-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 114835263
6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 10967410
6-fluoroimidazo[1,2-a]pyridin-3-ol
CID 55265845
(2-benzyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82223117
6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617964
2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115015290

Frequently Asked Questions

What is the IUPAC name of 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The IUPAC name of 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (CID 59113303) is 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.
What is the SMILES notation for 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The canonical SMILES for 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is Fc1ccc2nc3nc4ccccc4nc3n2c1.
What is the InChIKey of 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The InChIKey is GEUVILQGGLJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4/c14-8-5-6-11-17-12-13(18(11)7-8)16-10-4-2-1-3-9(10)15-12/h1-7H.
What are the key properties of 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene has a molecular weight of 238.23 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is sourced from PubChem (CID 59113303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).