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

C20H25N5O — CID 66504525

IUPAC4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1C1CCCCC1
InChIInChI=1S/C20H25N5O/c26-19-16-13-21-20-22-18(14-7-3-1-4-8-14)23-25(20)17(16)11-12-24(19)15-9-5-2-6-10-15/h11-15H,1-10H2
InChIKeyCFJIOOFWGAAWGG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.99
Rot. Bonds2

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

4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 66504525) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID66504525
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1C1CCCCC1
InChIInChI=1S/C20H25N5O/c26-19-16-13-21-20-22-18(14-7-3-1-4-8-14)23-25(20)17(16)11-12-24(19)15-9-5-2-6-10-15/h11-15H,1-10H2
InChIKeyCFJIOOFWGAAWGG-UHFFFAOYSA-N
XLogP3.99
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,11-dicyclohexyl-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 4,11-dicyclohexyl-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 4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 66504525) is 4,11-dicyclohexyl-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 4,11-dicyclohexyl-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 4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1C1CCCCC1.
What is the InChIKey of 4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is CFJIOOFWGAAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19-16-13-21-20-22-18(14-7-3-1-4-8-14)23-25(20)17(16)11-12-24(19)15-9-5-2-6-10-15/h11-15H,1-10H2.
What are the key properties of 4,11-dicyclohexyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
4,11-dicyclohexyl-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 351.45 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dicyclohexyl-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 66504525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).