4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline

C32H31FN4 — CID 158623883

IUPAC4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
SMILESCc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCC7)CC6)cc5)ccn34)c2c1
InChIInChI=1S/C32H31FN4/c1-21-16-27-26(18-22(2)35-31(27)28(33)17-21)29-20-34-30-19-24(8-13-37(29)30)23-4-6-25(7-5-23)36-14-11-32(12-15-36)9-3-10-32/h4-8,13,16-20H,3,9-12,14-15H2,1-2H3
InChIKeyCTVPWKZNDUJGFS-UHFFFAOYSA-N
MW490.63 g/mol
LogP7.74
Rot. Bonds3

About 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline

4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline (PubChem CID 158623883) has the molecular formula C32H31FN4 and a molecular weight of 490.63 g/mol. Its IUPAC name is 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline.

Molecular Properties

Compound Name4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
PubChem CID158623883
Molecular FormulaC32H31FN4
Molecular Weight490.63 g/mol
Exact Mass490.25
IUPAC Name4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
SMILESCc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCC7)CC6)cc5)ccn34)c2c1
InChIInChI=1S/C32H31FN4/c1-21-16-27-26(18-22(2)35-31(27)28(33)17-21)29-20-34-30-19-24(8-13-37(29)30)23-4-6-25(7-5-23)36-14-11-32(12-15-36)9-3-10-32/h4-8,13,16-20H,3,9-12,14-15H2,1-2H3
InChIKeyCTVPWKZNDUJGFS-UHFFFAOYSA-N
XLogP7.74
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane
CID 160927126
4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
CID 161401798
6,8-difluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326676
4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline
CID 139495359
6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326665
2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 134356888
2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326669
6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139495368
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
7-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 56973477
1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone
CID 142306232
3-[4-[3-(2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
CID 158623881

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline?
The IUPAC name of 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline (CID 158623883) is 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline.
What is the SMILES notation for 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline?
The canonical SMILES for 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline is Cc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCC7)CC6)cc5)ccn34)c2c1.
What is the InChIKey of 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline?
The InChIKey is CTVPWKZNDUJGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4/c1-21-16-27-26(18-22(2)35-31(27)28(33)17-21)29-20-34-30-19-24(8-13-37(29)30)23-4-6-25(7-5-23)36-14-11-32(12-15-36)9-3-10-32/h4-8,13,16-20H,3,9-12,14-15H2,1-2H3.
What are the key properties of 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline?
4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline has a molecular weight of 490.63 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(7-azaspiro[3.5]nonan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline is sourced from PubChem (CID 158623883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).