5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

C14H12FN5 — CID 11615976

IUPAC5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCCc1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2
InChIInChI=1S/C14H12FN5/c1-2-11-13-6-20-14(16-7-18-20)10-5-9(15)3-4-12(10)19(13)8-17-11/h3-5,7-8H,2,6H2,1H3
InChIKeyLFKWATHQNFLSQW-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.19
Rot. Bonds1

About 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 11615976) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.

Molecular Properties

Compound Name5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID11615976
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCCc1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2
InChIInChI=1S/C14H12FN5/c1-2-11-13-6-20-14(16-7-18-20)10-5-9(15)3-4-12(10)19(13)8-17-11/h3-5,7-8H,2,6H2,1H3
InChIKeyLFKWATHQNFLSQW-UHFFFAOYSA-N
XLogP2.19
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 11615976) is 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is CCc1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2.
What is the InChIKey of 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is LFKWATHQNFLSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c1-2-11-13-6-20-14(16-7-18-20)10-5-9(15)3-4-12(10)19(13)8-17-11/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 269.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 11615976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).