9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C33H21N5 — CID 130393079

About 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130393079) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 130393079
• Molecular Formula: C33H21N5
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.18
• IUPAC Name: 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: c1cc(-c2ccc(-c3nc4ccccc4c4nc5ccccn5c34)cc2)cc(-c2cn3ccccc3n2)c1
• InChI: InChI=1S/C33H21N5/c1-2-11-27-26(10-1)32-33(38-19-6-4-13-30(38)36-32)31(35-27)23-16-14-22(15-17-23)24-8-7-9-25(20-24)28-21-37-18-5-3-12-29(37)34-28/h1-21H
• InChIKey: BAZVTHZSOUHGMO-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 47.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130393079) is 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1cc(-c2ccc(-c3nc4ccccc4c4nc5ccccn5c34)cc2)cc(-c2cn3ccccc3n2)c1.

What is the InChIKey of 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is BAZVTHZSOUHGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-2-11-27-26(10-1)32-33(38-19-6-4-13-30(38)36-32)31(35-27)23-16-14-22(15-17-23)24-8-7-9-25(20-24)28-21-37-18-5-3-12-29(37)34-28/h1-21H.

What are the key properties of 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 487.57 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130393079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).