2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane

C32H32FN5 — CID 160927127

IUPAC2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane
SMILESCc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCNCC7)C6)cc5)ccn34)c2c1
InChIInChI=1S/C32H32FN5/c1-21-15-27-26(17-22(2)36-31(27)28(33)16-21)29-19-35-30-18-24(7-13-38(29)30)23-3-5-25(6-4-23)37-14-10-32(20-37)8-11-34-12-9-32/h3-7,13,15-19,34H,8-12,14,20H2,1-2H3
InChIKeyFCWGTFHXUQINED-UHFFFAOYSA-N
MW505.64 g/mol
LogP6.55
Rot. Bonds3

About 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane

2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane (PubChem CID 160927127) has the molecular formula C32H32FN5 and a molecular weight of 505.64 g/mol. Its IUPAC name is 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane
PubChem CID160927127
Molecular FormulaC32H32FN5
Molecular Weight505.64 g/mol
Exact Mass505.26
IUPAC Name2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane
SMILESCc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCNCC7)C6)cc5)ccn34)c2c1
InChIInChI=1S/C32H32FN5/c1-21-15-27-26(17-22(2)36-31(27)28(33)16-21)29-19-35-30-18-24(7-13-38(29)30)23-3-5-25(6-4-23)37-14-10-32(20-37)8-11-34-12-9-32/h3-7,13,15-19,34H,8-12,14,20H2,1-2H3
InChIKeyFCWGTFHXUQINED-UHFFFAOYSA-N
XLogP6.55
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.64
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

Miransertib
CID 53262401
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Panulisib
CID 56947515
Bag-956
CID 24882589
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 10109125
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
Urmc-099
CID 54764565
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane (CID 160927127) is 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane is Cc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCNCC7)C6)cc5)ccn34)c2c1.
What is the InChIKey of 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is FCWGTFHXUQINED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5/c1-21-15-27-26(17-22(2)36-31(27)28(33)16-21)29-19-35-30-18-24(7-13-38(29)30)23-3-5-25(6-4-23)37-14-10-32(20-37)8-11-34-12-9-32/h3-7,13,15-19,34H,8-12,14,20H2,1-2H3.
What are the key properties of 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane?
2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 505.64 g/mol, XLogP of 6.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 160927127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).