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

C40H40FN7O6 — CID 167636324

IUPAC6-(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
SMILESCOc1cc(-c2cnc3cc(F)ccn23)cc2c1C(=O)NCC2.COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc2c1C(=O)NCC2
InChIInChI=1S/C23H26N4O4.C17H14FN3O2/c1-29-20-13-17(12-16-2-4-24-23(28)22(16)20)19-15-25-21-14-18(3-5-27(19)21)31-11-8-26-6-9-30-10-7-26;1-23-14-7-11(6-10-2-4-19-17(22)16(10)14)13-9-20-15-8-12(18)3-5-21(13)15/h3,5,12-15H,2,4,6-11H2,1H3,(H,24,28);3,5-9H,2,4H2,1H3,(H,19,22)
InChIKeyONJJARDQJYQYCL-UHFFFAOYSA-N
MW733.80 g/mol
LogP4.44
Rot. Bonds8

About 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

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 (PubChem CID 167636324) has the molecular formula C40H40FN7O6 and a molecular weight of 733.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID167636324
Molecular FormulaC40H40FN7O6
Molecular Weight733.80 g/mol
Exact Mass733.30
IUPAC Name6-(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
SMILESCOc1cc(-c2cnc3cc(F)ccn23)cc2c1C(=O)NCC2.COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc2c1C(=O)NCC2
InChIInChI=1S/C23H26N4O4.C17H14FN3O2/c1-29-20-13-17(12-16-2-4-24-23(28)22(16)20)19-15-25-21-14-18(3-5-27(19)21)31-11-8-26-6-9-30-10-7-26;1-23-14-7-11(6-10-2-4-19-17(22)16(10)14)13-9-20-15-8-12(18)3-5-21(13)15/h3,5,12-15H,2,4,6-11H2,1H3,(H,24,28);3,5-9H,2,4H2,1H3,(H,19,22)
InChIKeyONJJARDQJYQYCL-UHFFFAOYSA-N
XLogP4.44
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.80
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
7-fluoroimidazo[1,2-a]pyridine;4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine
CID 167565148
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
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
7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 175782066
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167670192
CID 167657219
CID 167657219
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167552627
4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 146275387
6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one
CID 146275268
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-morpholin-4-ylpropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273385
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cnc3cc(F)ccn23)cc2c1C(=O)NCC2.COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc2c1C(=O)NCC2.
What is the InChIKey of 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?
The InChIKey is ONJJARDQJYQYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4.C17H14FN3O2/c1-29-20-13-17(12-16-2-4-24-23(28)22(16)20)19-15-25-21-14-18(3-5-27(19)21)31-11-8-26-6-9-30-10-7-26;1-23-14-7-11(6-10-2-4-19-17(22)16(10)14)13-9-20-15-8-12(18)3-5-21(13)15/h3,5,12-15H,2,4,6-11H2,1H3,(H,24,28);3,5-9H,2,4H2,1H3,(H,19,22).
What are the key properties of 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?
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 has a molecular weight of 733.80 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167636324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).