11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C23H15F2N7O — CID 66496937

IUPAC11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ncn1CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H15F2N7O/c24-15-3-1-13(2-4-15)18-11-28-32-21(18)30-29-20-22(32)27-12-31(23(20)33)8-7-14-10-26-19-6-5-16(25)9-17(14)19/h1-6,9-12,26H,7-8H2
InChIKeyWKSGBHHDLNGLBJ-UHFFFAOYSA-N
MW443.42 g/mol
LogP3.50
Rot. Bonds4

About 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 66496937) has the molecular formula C23H15F2N7O and a molecular weight of 443.42 g/mol. Its IUPAC name is 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID66496937
Molecular FormulaC23H15F2N7O
Molecular Weight443.42 g/mol
Exact Mass443.13
IUPAC Name11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ncn1CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H15F2N7O/c24-15-3-1-13(2-4-15)18-11-28-32-21(18)30-29-20-22(32)27-12-31(23(20)33)8-7-14-10-26-19-6-5-16(25)9-17(14)19/h1-6,9-12,26H,7-8H2
InChIKeyWKSGBHHDLNGLBJ-UHFFFAOYSA-N
XLogP3.50
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Related Compounds

11-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(4-chlorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496864
5-(4-chlorophenyl)-11-[2-(1H-indol-3-yl)ethyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496849
11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-4-methyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496943
11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-4-(methoxymethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496775
11-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496524
5-(4-chlorophenyl)-11-(2-hydroxyethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496839
5-(4-fluorophenyl)-11-[(4-methoxyphenyl)methyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496966
4-(10-oxo-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)butanoic acid
CID 66496622
5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496651
5-(4-chlorophenyl)-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496873
5-(4-fluorophenyl)-11-(3-hydroxypropyl)-4-(methoxymethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496789
4-ethyl-5-(4-fluorophenyl)-11-pentyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496993

Frequently Asked Questions

What is the IUPAC name of 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 66496937) is 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ncn1CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is WKSGBHHDLNGLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N7O/c24-15-3-1-13(2-4-15)18-11-28-32-21(18)30-29-20-22(32)27-12-31(23(20)33)8-7-14-10-26-19-6-5-16(25)9-17(14)19/h1-6,9-12,26H,7-8H2.
What are the key properties of 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 443.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 66496937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).