11-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C15H10FN5O — CID 38021821

IUPAC11-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncc3c(=O)n(-c4ccccc4F)ccc3n2n1
InChIInChI=1S/C15H10FN5O/c1-9-18-15-17-8-10-12(21(15)19-9)6-7-20(14(10)22)13-5-3-2-4-11(13)16/h2-8H,1H3
InChIKeyWCRVWJJFIIPWHT-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.88
Rot. Bonds1

About 11-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 38021821) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is 11-(2-fluorophenyl)-4-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-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID38021821
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC Name11-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncc3c(=O)n(-c4ccccc4F)ccc3n2n1
InChIInChI=1S/C15H10FN5O/c1-9-18-15-17-8-10-12(21(15)19-9)6-7-20(14(10)22)13-5-3-2-4-11(13)16/h2-8H,1H3
InChIKeyWCRVWJJFIIPWHT-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-(2-fluorophenyl)-4-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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Frequently Asked Questions

What is the IUPAC name of 11-(2-fluorophenyl)-4-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-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 38021821) is 11-(2-fluorophenyl)-4-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-(2-fluorophenyl)-4-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-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1nc2ncc3c(=O)n(-c4ccccc4F)ccc3n2n1.
What is the InChIKey of 11-(2-fluorophenyl)-4-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 WCRVWJJFIIPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c1-9-18-15-17-8-10-12(21(15)19-9)6-7-20(14(10)22)13-5-3-2-4-11(13)16/h2-8H,1H3.
What are the key properties of 11-(2-fluorophenyl)-4-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(2-fluorophenyl)-4-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-(2-fluorophenyl)-4-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 38021821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).