4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one

C38H42F3N7O6 — CID 167644446

IUPAC4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc2ccn(CC(F)(F)F)c(=O)c12.c1cn2ccc(OCCN3CCOCC3)cc2n1
InChIInChI=1S/C25H25F3N4O4.C13H17N3O2/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30;1-3-16-4-2-14-13(16)11-12(1)18-10-7-15-5-8-17-9-6-15/h2-5,12-15H,6-11,16H2,1H3;1-4,11H,5-10H2
InChIKeyPQLGKFLGCGFWPT-UHFFFAOYSA-N
MW749.79 g/mol
LogP4.64
Rot. Bonds11

About 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one

4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one (PubChem CID 167644446) has the molecular formula C38H42F3N7O6 and a molecular weight of 749.79 g/mol. Its IUPAC name is 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one.

Molecular Properties

Compound Name4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one
PubChem CID167644446
Molecular FormulaC38H42F3N7O6
Molecular Weight749.79 g/mol
Exact Mass749.31
IUPAC Name4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc2ccn(CC(F)(F)F)c(=O)c12.c1cn2ccc(OCCN3CCOCC3)cc2n1
InChIInChI=1S/C25H25F3N4O4.C13H17N3O2/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30;1-3-16-4-2-14-13(16)11-12(1)18-10-7-15-5-8-17-9-6-15/h2-5,12-15H,6-11,16H2,1H3;1-4,11H,5-10H2
InChIKeyPQLGKFLGCGFWPT-UHFFFAOYSA-N
XLogP4.64
TPSA109.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one with MolForge

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Related Compounds

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-cyclopropyloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283326
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
8-Methoxy-6-(7-(2-morpholinoethoxy)imidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1(2H)-one
CID 146273261
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 162653315
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-propan-2-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283304
4-[3-[(6R,8aS)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901604
4-(8-amino-3-((3R,8aR)-6-oxohexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902185
4-(8-amino-3-((1R,6R,8aS)-1-methyl-3-oxohexahydro-1H-oxazolo[3,4-a]pyridin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77107253
4-(8-amino-3-((6R,8aS)-1,1-dimethyl-3-oxohexahydro-1H-oxazolo[3,4-a]pyridin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77107254
4-[3-[(6R,8aS)-1,1-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90282970
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-5-ethoxy-2-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283564

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one?
The IUPAC name of 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one (CID 167644446) is 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one.
What is the SMILES notation for 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one?
The canonical SMILES for 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one is COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc2ccn(CC(F)(F)F)c(=O)c12.c1cn2ccc(OCCN3CCOCC3)cc2n1.
What is the InChIKey of 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one?
The InChIKey is PQLGKFLGCGFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4.C13H17N3O2/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30;1-3-16-4-2-14-13(16)11-12(1)18-10-7-15-5-8-17-9-6-15/h2-5,12-15H,6-11,16H2,1H3;1-4,11H,5-10H2.
What are the key properties of 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one?
4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one has a molecular weight of 749.79 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine;8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)isoquinolin-1-one is sourced from PubChem (CID 167644446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).