2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane

C32H32FN5 — CID 160927128

IUPAC2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCCNC7)C6)cc5)ccn34)c2c1
InChIInChI=1S/C32H32FN5/c1-21-14-27-26(16-22(2)36-31(27)28(33)15-21)29-18-35-30-17-24(8-12-38(29)30)23-4-6-25(7-5-23)37-13-10-32(20-37)9-3-11-34-19-32/h4-8,12,14-18,34H,3,9-11,13,19-20H2,1-2H3
InChIKeyHGSXPWJCPFZRPT-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]-2,9-diazaspiro[4.5]decane

2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane (PubChem CID 160927128) 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]-2,9-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]-2,9-diazaspiro[4.5]decane
PubChem CID160927128
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]-2,9-diazaspiro[4.5]decane
SMILESCc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCCNC7)C6)cc5)ccn34)c2c1
InChIInChI=1S/C32H32FN5/c1-21-14-27-26(16-22(2)36-31(27)28(33)15-21)29-18-35-30-17-24(8-12-38(29)30)23-4-6-25(7-5-23)37-13-10-32(20-37)9-3-11-34-19-32/h4-8,12,14-18,34H,3,9-11,13,19-20H2,1-2H3
InChIKeyHGSXPWJCPFZRPT-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]-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

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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
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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
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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

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]-2,9-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]-2,9-diazaspiro[4.5]decane (CID 160927128) is 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-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]-2,9-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]-2,9-diazaspiro[4.5]decane is Cc1cc(F)c2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCC7(CCCNC7)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]-2,9-diazaspiro[4.5]decane?
The InChIKey is HGSXPWJCPFZRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5/c1-21-14-27-26(16-22(2)36-31(27)28(33)15-21)29-18-35-30-17-24(8-12-38(29)30)23-4-6-25(7-5-23)37-13-10-32(20-37)9-3-11-34-19-32/h4-8,12,14-18,34H,3,9-11,13,19-20H2,1-2H3.
What are the key properties of 2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane?
2-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-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]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 160927128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).