3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine

C28H25FN4O — CID 139495369

IUPAC3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5COCC(C)N5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C28H25FN4O/c1-17-11-24(23-13-22(29)7-8-25(23)31-17)27-14-30-28-12-21(9-10-33(27)28)19-3-5-20(6-4-19)26-16-34-15-18(2)32-26/h3-14,18,26,32H,15-16H2,1-2H3
InChIKeyAYXVMANUDYVAMP-UHFFFAOYSA-N
MW452.53 g/mol
LogP5.71
Rot. Bonds3

About 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine

3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine (PubChem CID 139495369) has the molecular formula C28H25FN4O and a molecular weight of 452.53 g/mol. Its IUPAC name is 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine.

Molecular Properties

Compound Name3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine
PubChem CID139495369
Molecular FormulaC28H25FN4O
Molecular Weight452.53 g/mol
Exact Mass452.20
IUPAC Name3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5COCC(C)N5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C28H25FN4O/c1-17-11-24(23-13-22(29)7-8-25(23)31-17)27-14-30-28-12-21(9-10-33(27)28)19-3-5-20(6-4-19)26-16-34-15-18(2)32-26/h3-14,18,26,32H,15-16H2,1-2H3
InChIKeyAYXVMANUDYVAMP-UHFFFAOYSA-N
XLogP5.71
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine with MolForge

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Related Compounds

3-[4-[3-(2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
CID 158623881
6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326665
6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326717
6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139495368
(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
CID 95437543
2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326669
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
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
2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 134356888
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
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
7-(4-fluorophenyl)-3-(1H-indol-6-yl)imidazo[1,2-a]pyridine
CID 59321013

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine?
The IUPAC name of 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine (CID 139495369) is 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine.
What is the SMILES notation for 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine?
The canonical SMILES for 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine is Cc1cc(-c2cnc3cc(-c4ccc(C5COCC(C)N5)cc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine?
The InChIKey is AYXVMANUDYVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O/c1-17-11-24(23-13-22(29)7-8-25(23)31-17)27-14-30-28-12-21(9-10-33(27)28)19-3-5-20(6-4-19)26-16-34-15-18(2)32-26/h3-14,18,26,32H,15-16H2,1-2H3.
What are the key properties of 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine?
3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine has a molecular weight of 452.53 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine is sourced from PubChem (CID 139495369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).