9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane

C33H34FN5 — CID 161401800

IUPAC9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane
SMILESCc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCCCN7)CC6)cc5)ccn34)c2c1
InChIInChI=1S/C33H34FN5/c1-22-17-28-27(19-23(2)37-32(28)29(34)18-22)30-21-35-31-20-25(9-14-39(30)31)24-5-7-26(8-6-24)38-15-11-33(12-16-38)10-3-4-13-36-33/h5-9,14,17-21,36H,3-4,10-13,15-16H2,1-2H3
InChIKeyGQCASHYJTWXIAS-UHFFFAOYSA-N
MW519.67 g/mol
LogP7.08
Rot. Bonds3

About 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane

9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane (PubChem CID 161401800) has the molecular formula C33H34FN5 and a molecular weight of 519.67 g/mol. Its IUPAC name is 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane
PubChem CID161401800
Molecular FormulaC33H34FN5
Molecular Weight519.67 g/mol
Exact Mass519.28
IUPAC Name9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane
SMILESCc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCCCN7)CC6)cc5)ccn34)c2c1
InChIInChI=1S/C33H34FN5/c1-22-17-28-27(19-23(2)37-32(28)29(34)18-22)30-21-35-31-20-25(9-14-39(30)31)24-5-7-26(8-6-24)38-15-11-33(12-16-38)10-3-4-13-36-33/h5-9,14,17-21,36H,3-4,10-13,15-16H2,1-2H3
InChIKeyGQCASHYJTWXIAS-UHFFFAOYSA-N
XLogP7.08
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane (CID 161401800) is 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane is Cc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCCCN7)CC6)cc5)ccn34)c2c1.
What is the InChIKey of 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane?
The InChIKey is GQCASHYJTWXIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN5/c1-22-17-28-27(19-23(2)37-32(28)29(34)18-22)30-21-35-31-20-25(9-14-39(30)31)24-5-7-26(8-6-24)38-15-11-33(12-16-38)10-3-4-13-36-33/h5-9,14,17-21,36H,3-4,10-13,15-16H2,1-2H3.
What are the key properties of 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane?
9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane has a molecular weight of 519.67 g/mol, XLogP of 7.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 161401800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).