3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline

C47H27Br3FN9 — CID 142454337

About 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline

3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline (PubChem CID 142454337) has the molecular formula C47H27Br3FN9 and a molecular weight of 976.51 g/mol. Its IUPAC name is 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
• PubChem CID: 142454337
• Molecular Formula: C47H27Br3FN9
• Molecular Weight: 976.51 g/mol
• Exact Mass: 972.99
• IUPAC Name: 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
• SMILES: Nc1cccc(-c2ccc(-c3c(-c4cc5ncc(-c6cnc7cc(-c8cc(Br)cn9c(-c%10ccc(F)nc%10)cnc89)ccc7c6)n5cc4Br)nc4ccc(Br)cn34)cc2)c1
• InChI: InChI=1S/C47H27Br3FN9/c48-33-11-13-43-57-45(46(60(43)23-33)27-6-4-26(5-7-27)28-2-1-3-35(52)15-28)37-18-44-55-21-41(58(44)25-38(37)50)32-14-30-9-8-29(16-39(30)53-20-32)36-17-34(49)24-59-40(22-56-47(36)59)31-10-12-42(51)54-19-31/h1-25H,52H2
• InChIKey: PHMUGCHQYFMXSV-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 103.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.51
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline?

The IUPAC name of 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline (CID 142454337) is 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline.

What is the SMILES notation for 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline?

The canonical SMILES for 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline is Nc1cccc(-c2ccc(-c3c(-c4cc5ncc(-c6cnc7cc(-c8cc(Br)cn9c(-c%10ccc(F)nc%10)cnc89)ccc7c6)n5cc4Br)nc4ccc(Br)cn34)cc2)c1.

What is the InChIKey of 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline?

The InChIKey is PHMUGCHQYFMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27Br3FN9/c48-33-11-13-43-57-45(46(60(43)23-33)27-6-4-26(5-7-27)28-2-1-3-35(52)15-28)37-18-44-55-21-41(58(44)25-38(37)50)32-14-30-9-8-29(16-39(30)53-20-32)36-17-34(49)24-59-40(22-56-47(36)59)31-10-12-42(51)54-19-31/h1-25H,52H2.

What are the key properties of 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline?

3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline has a molecular weight of 976.51 g/mol, XLogP of 12.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline is sourced from PubChem (CID 142454337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).