7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

C25H20F2N4O2 — CID 155762312

IUPAC7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESO=C1c2c(n(Cc3ccc(F)cc3)c3c(F)c(N4CCNCC4)ccc3c2=O)-c2cccn21
InChIInChI=1S/C25H20F2N4O2/c26-16-5-3-15(4-6-16)14-31-22-17(7-8-18(21(22)27)29-12-9-28-10-13-29)24(32)20-23(31)19-2-1-11-30(19)25(20)33/h1-8,11,28H,9-10,12-14H2
InChIKeyOMHHXAVBOPFNOB-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.21
Rot. Bonds3

About 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (PubChem CID 155762312) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.

Molecular Properties

Compound Name7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
PubChem CID155762312
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESO=C1c2c(n(Cc3ccc(F)cc3)c3c(F)c(N4CCNCC4)ccc3c2=O)-c2cccn21
InChIInChI=1S/C25H20F2N4O2/c26-16-5-3-15(4-6-16)14-31-22-17(7-8-18(21(22)27)29-12-9-28-10-13-29)24(32)20-23(31)19-2-1-11-30(19)25(20)33/h1-8,11,28H,9-10,12-14H2
InChIKeyOMHHXAVBOPFNOB-UHFFFAOYSA-N
XLogP3.21
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The IUPAC name of 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (CID 155762312) is 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.
What is the SMILES notation for 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The canonical SMILES for 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is O=C1c2c(n(Cc3ccc(F)cc3)c3c(F)c(N4CCNCC4)ccc3c2=O)-c2cccn21.
What is the InChIKey of 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The InChIKey is OMHHXAVBOPFNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c26-16-5-3-15(4-6-16)14-31-22-17(7-8-18(21(22)27)29-12-9-28-10-13-29)24(32)20-23(31)19-2-1-11-30(19)25(20)33/h1-8,11,28H,9-10,12-14H2.
What are the key properties of 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione has a molecular weight of 446.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is sourced from PubChem (CID 155762312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).