5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene

C20H25FN4OS — CID 69210074

IUPAC5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
SMILESCCc1cc2c(s1)NC=c1c(F)ccnc1=C2N1CCNC(CCOC)C1
InChIInChI=1S/C20H25FN4OS/c1-3-14-10-15-19(25-8-7-22-13(12-25)5-9-26-2)18-16(11-24-20(15)27-14)17(21)4-6-23-18/h4,6,10-11,13,22,24H,3,5,7-9,12H2,1-2H3
InChIKeyXXIYPCJOPMOGJI-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.47
Rot. Bonds5

About 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene

5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene (PubChem CID 69210074) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene.

Molecular Properties

Compound Name5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
PubChem CID69210074
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC Name5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
SMILESCCc1cc2c(s1)NC=c1c(F)ccnc1=C2N1CCNC(CCOC)C1
InChIInChI=1S/C20H25FN4OS/c1-3-14-10-15-19(25-8-7-22-13(12-25)5-9-26-2)18-16(11-24-20(15)27-14)17(21)4-6-23-18/h4,6,10-11,13,22,24H,3,5,7-9,12H2,1-2H3
InChIKeyXXIYPCJOPMOGJI-UHFFFAOYSA-N
XLogP1.47
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene 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-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The IUPAC name of 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene (CID 69210074) is 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene.
What is the SMILES notation for 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The canonical SMILES for 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene is CCc1cc2c(s1)NC=c1c(F)ccnc1=C2N1CCNC(CCOC)C1.
What is the InChIKey of 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The InChIKey is XXIYPCJOPMOGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c1-3-14-10-15-19(25-8-7-22-13(12-25)5-9-26-2)18-16(11-24-20(15)27-14)17(21)4-6-23-18/h4,6,10-11,13,22,24H,3,5,7-9,12H2,1-2H3.
What are the key properties of 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene has a molecular weight of 388.51 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-11-fluoro-2-[3-(2-methoxyethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene is sourced from PubChem (CID 69210074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).