11-[2-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C15H7ClF3N5O — CID 30465965

IUPAC11-[2-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H7ClF3N5O/c16-10-2-1-8(15(17,18)19)5-12(10)23-4-3-11-9(13(23)25)6-20-14-21-7-22-24(11)14/h1-7H
InChIKeyWGQBLHATZRYZKD-UHFFFAOYSA-N
MW365.70 g/mol
LogP3.10
Rot. Bonds1

About 11-[2-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-[2-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 30465965) has the molecular formula C15H7ClF3N5O and a molecular weight of 365.70 g/mol. Its IUPAC name is 11-[2-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID30465965
Molecular FormulaC15H7ClF3N5O
Molecular Weight365.70 g/mol
Exact Mass365.03
IUPAC Name11-[2-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H7ClF3N5O/c16-10-2-1-8(15(17,18)19)5-12(10)23-4-3-11-9(13(23)25)6-20-14-21-7-22-24(11)14/h1-7H
InChIKeyWGQBLHATZRYZKD-UHFFFAOYSA-N
XLogP3.10
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[2-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one 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 11-[2-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 30465965) is 11-[2-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3ncnn3c2ccn1-c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 11-[2-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is WGQBLHATZRYZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N5O/c16-10-2-1-8(15(17,18)19)5-12(10)23-4-3-11-9(13(23)25)6-20-14-21-7-22-24(11)14/h1-7H.
What are the key properties of 11-[2-chloro-5-(trifluoromethyl)phenyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-[2-chloro-5-(trifluoromethyl)phenyl]-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 365.70 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-chloro-5-(trifluoromethyl)phenyl]-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 30465965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).