15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C26H20N4 — CID 122493062

About 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 122493062) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• PubChem CID: 122493062
• Molecular Formula: C26H20N4
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.17
• IUPAC Name: 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• SMILES: CCc1nc2cc(-c3ccncc3)cc3c2n1-c1ccccc1N3c1ccccc1
• InChI: InChI=1S/C26H20N4/c1-2-25-28-21-16-19(18-12-14-27-15-13-18)17-24-26(21)30(25)23-11-7-6-10-22(23)29(24)20-8-4-3-5-9-20/h3-17H,2H2,1H3
• InChIKey: GWVKRMCEJWVTMA-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The IUPAC name of 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 122493062) is 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

What is the SMILES notation for 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The canonical SMILES for 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is CCc1nc2cc(-c3ccncc3)cc3c2n1-c1ccccc1N3c1ccccc1.

What is the InChIKey of 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The InChIKey is GWVKRMCEJWVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-2-25-28-21-16-19(18-12-14-27-15-13-18)17-24-26(21)30(25)23-11-7-6-10-22(23)29(24)20-8-4-3-5-9-20/h3-17H,2H2,1H3.

What are the key properties of 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 388.47 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 122493062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).