1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone

C25H23N5O2 — CID 11626025

IUPAC1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone
SMILESCOc1ccc2c(n1)CN(C(C)=O)Cc1nnc(-c3ccc(-c4ccccc4C)cc3)n1-2
InChIInChI=1S/C25H23N5O2/c1-16-6-4-5-7-20(16)18-8-10-19(11-9-18)25-28-27-23-15-29(17(2)31)14-21-22(30(23)25)12-13-24(26-21)32-3/h4-13H,14-15H2,1-3H3
InChIKeyBHDBWYDMCNZCCZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.18
Rot. Bonds3

About 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone

1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone (PubChem CID 11626025) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone.

Molecular Properties

Compound Name1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone
PubChem CID11626025
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone
SMILESCOc1ccc2c(n1)CN(C(C)=O)Cc1nnc(-c3ccc(-c4ccccc4C)cc3)n1-2
InChIInChI=1S/C25H23N5O2/c1-16-6-4-5-7-20(16)18-8-10-19(11-9-18)25-28-27-23-15-29(17(2)31)14-21-22(30(23)25)12-13-24(26-21)32-3/h4-13H,14-15H2,1-3H3
InChIKeyBHDBWYDMCNZCCZ-UHFFFAOYSA-N
XLogP4.18
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone 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 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone?
The IUPAC name of 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone (CID 11626025) is 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone.
What is the SMILES notation for 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone?
The canonical SMILES for 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone is COc1ccc2c(n1)CN(C(C)=O)Cc1nnc(-c3ccc(-c4ccccc4C)cc3)n1-2.
What is the InChIKey of 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone?
The InChIKey is BHDBWYDMCNZCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-16-6-4-5-7-20(16)18-8-10-19(11-9-18)25-28-27-23-15-29(17(2)31)14-21-22(30(23)25)12-13-24(26-21)32-3/h4-13H,14-15H2,1-3H3.
What are the key properties of 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone?
1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone has a molecular weight of 425.49 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-methoxy-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-8-yl]ethanone is sourced from PubChem (CID 11626025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).