8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one

C23H23F3N4O3 — CID 170259192

IUPAC8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc(-c2cnc3cc(N4CCOCC4)ccn23)cc2c1C(=O)N(CC(F)(F)F)CC2
InChIInChI=1S/C23H23F3N4O3/c1-32-19-11-16(10-15-2-4-29(14-23(24,25)26)22(31)21(15)19)18-13-27-20-12-17(3-5-30(18)20)28-6-8-33-9-7-28/h3,5,10-13H,2,4,6-9,14H2,1H3
InChIKeyFZAVJDKNFKZAAO-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.41
Rot. Bonds4

About 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one

8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 170259192) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID170259192
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc(-c2cnc3cc(N4CCOCC4)ccn23)cc2c1C(=O)N(CC(F)(F)F)CC2
InChIInChI=1S/C23H23F3N4O3/c1-32-19-11-16(10-15-2-4-29(14-23(24,25)26)22(31)21(15)19)18-13-27-20-12-17(3-5-30(18)20)28-6-8-33-9-7-28/h3,5,10-13H,2,4,6-9,14H2,1H3
InChIKeyFZAVJDKNFKZAAO-UHFFFAOYSA-N
XLogP3.41
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

8-methoxy-6-[7-[3-(methoxymethyl)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 170259185
8-methoxy-6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 151186168
8-methoxy-6-[7-[[(2S)-4-methylmorpholin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 146273286
CID 167657219
CID 167657219
tert-butyl 3-[[3-[8-methoxy-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-6-yl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]-3-methylazetidine-1-carboxylate
CID 146273350
2-(2,2-difluoroethyl)-6-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-8-methoxy-3,4-dihydroisoquinolin-1-one
CID 146273304
6-(2-chloropyrimidin-4-yl)-8-methoxy-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 169225803
8-methoxy-6-(7-oxo-1H-imidazo[1,2-b]pyridazin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 162620050
8-methoxy-2-(2,2,2-trifluoroethyl)-6-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-3,4-dihydroisoquinolin-1-one
CID 170259294
N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide
CID 170259599
6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-3,4-dihydro-2H-isoquinolin-1-one;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 167636324
8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 166011947

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one (CID 170259192) is 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one is COc1cc(-c2cnc3cc(N4CCOCC4)ccn23)cc2c1C(=O)N(CC(F)(F)F)CC2.
What is the InChIKey of 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is FZAVJDKNFKZAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-32-19-11-16(10-15-2-4-29(14-23(24,25)26)22(31)21(15)19)18-13-27-20-12-17(3-5-30(18)20)28-6-8-33-9-7-28/h3,5,10-13H,2,4,6-9,14H2,1H3.
What are the key properties of 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one?
8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 460.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 170259192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).