11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C15H10FN5O — CID 66496450

IUPAC11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncnn2c2ccn(-c3cccc(F)c3)c(=O)c12
InChIInChI=1S/C15H10FN5O/c1-9-13-12(21-15(19-9)17-8-18-21)5-6-20(14(13)22)11-4-2-3-10(16)7-11/h2-8H,1H3
InChIKeyGSZKLEATTHARDL-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.88
Rot. Bonds1

About 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 66496450) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID66496450
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC Name11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncnn2c2ccn(-c3cccc(F)c3)c(=O)c12
InChIInChI=1S/C15H10FN5O/c1-9-13-12(21-15(19-9)17-8-18-21)5-6-20(14(13)22)11-4-2-3-10(16)7-11/h2-8H,1H3
InChIKeyGSZKLEATTHARDL-UHFFFAOYSA-N
XLogP1.88
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Related Compounds

11-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496374
8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 56921419
11-(3-methoxyphenyl)-8-methyl-4-methylsulfanyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496344
11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496100
11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 56737861
8-methyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66489393
methyl 11-(3-fluorophenyl)-4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 56920057
8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 30466287
11-(3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 25252292
11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 30466268
11-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 25251742
11-(4-bromophenyl)-4,8-dimethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496373

Frequently Asked Questions

What is the IUPAC name of 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 66496450) is 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1nc2ncnn2c2ccn(-c3cccc(F)c3)c(=O)c12.
What is the InChIKey of 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is GSZKLEATTHARDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c1-9-13-12(21-15(19-9)17-8-18-21)5-6-20(14(13)22)11-4-2-3-10(16)7-11/h2-8H,1H3.
What are the key properties of 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 295.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 66496450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).