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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline

C47H27Br3FN9 — CID 142454341

IUPAC3-[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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
SMILESNc1cccc(-c2ccc(-c3c(-c4cc(Br)cn5c(-c6cnc7cc(-c8cc(Br)cn9c(-c%10ccc(F)nc%10)cnc89)ccc7c6)cnc45)nc4ccc(Br)cn34)cc2)c1
InChIInChI=1S/C47H27Br3FN9/c48-33-11-13-43-57-44(45(60(43)23-33)27-6-4-26(5-7-27)28-2-1-3-36(52)15-28)38-18-35(50)25-59-41(22-56-47(38)59)32-14-30-9-8-29(16-39(30)53-20-32)37-17-34(49)24-58-40(21-55-46(37)58)31-10-12-42(51)54-19-31/h1-25H,52H2
InChIKeyCMCDDEUBPPEIBX-UHFFFAOYSA-N
MW976.51 g/mol
LogP12.58
Rot. Bonds6

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-8-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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline (PubChem CID 142454341) 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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline.

Molecular Properties

Compound Name3-[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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
PubChem CID142454341
Molecular FormulaC47H27Br3FN9
Molecular Weight976.51 g/mol
Exact Mass972.99
IUPAC Name3-[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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
SMILESNc1cccc(-c2ccc(-c3c(-c4cc(Br)cn5c(-c6cnc7cc(-c8cc(Br)cn9c(-c%10ccc(F)nc%10)cnc89)ccc7c6)cnc45)nc4ccc(Br)cn34)cc2)c1
InChIInChI=1S/C47H27Br3FN9/c48-33-11-13-43-57-44(45(60(43)23-33)27-6-4-26(5-7-27)28-2-1-3-36(52)15-28)38-18-35(50)25-59-41(22-56-47(38)59)32-14-30-9-8-29(16-39(30)53-20-32)37-17-34(49)24-58-40(21-55-46(37)58)31-10-12-42(51)54-19-31/h1-25H,52H2
InChIKeyCMCDDEUBPPEIBX-UHFFFAOYSA-N
XLogP12.58
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.51
LogP ≤ 512.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline with MolForge

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Related Compounds

6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326534
4-[7-[6-(1,7-Diazaspiro[4.4]nonan-7-yl)-5-methyl-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
CID 139326584
6-Fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139495363
6,8-Difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139495368
7-[2-[5-[4-Amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-3-bromoquinolin-2-amine
CID 156304023
15-Bromo-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaen-5-amine
CID 53330461
15-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene;hydrochloride
CID 53330626
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 52953298
2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 52953337
2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 52953339
2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 53230613
2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 53232165

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-8-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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline (CID 142454341) 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-8-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-8-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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline is Nc1cccc(-c2ccc(-c3c(-c4cc(Br)cn5c(-c6cnc7cc(-c8cc(Br)cn9c(-c%10ccc(F)nc%10)cnc89)ccc7c6)cnc45)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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline?
The InChIKey is CMCDDEUBPPEIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27Br3FN9/c48-33-11-13-43-57-44(45(60(43)23-33)27-6-4-26(5-7-27)28-2-1-3-36(52)15-28)38-18-35(50)25-59-41(22-56-47(38)59)32-14-30-9-8-29(16-39(30)53-20-32)37-17-34(49)24-58-40(21-55-46(37)58)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-8-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-8-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-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline is sourced from PubChem (CID 142454341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).