10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C18H13N7 — CID 660787

IUPAC10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESc1ccc(Cn2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1
InChIInChI=1S/C18H13N7/c1-2-4-13(5-3-1)11-24-17-15(10-21-24)18-22-16(23-25(18)12-20-17)14-6-8-19-9-7-14/h1-10,12H,11H2
InChIKeyVDLSSQNIHXDMCR-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.58
Rot. Bonds3

About 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 660787) has the molecular formula C18H13N7 and a molecular weight of 327.35 g/mol. Its IUPAC name is 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID660787
Molecular FormulaC18H13N7
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Name10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESc1ccc(Cn2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1
InChIInChI=1S/C18H13N7/c1-2-4-13(5-3-1)11-24-17-15(10-21-24)18-22-16(23-25(18)12-20-17)14-6-8-19-9-7-14/h1-10,12H,11H2
InChIKeyVDLSSQNIHXDMCR-UHFFFAOYSA-N
XLogP2.58
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene 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 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 660787) is 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is c1ccc(Cn2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1.
What is the InChIKey of 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is VDLSSQNIHXDMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7/c1-2-4-13(5-3-1)11-24-17-15(10-21-24)18-22-16(23-25(18)12-20-17)14-6-8-19-9-7-14/h1-10,12H,11H2.
What are the key properties of 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 327.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 660787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).