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2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

HCID 178913432
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Basic information

CAS
607696-30-0
Standard SMILES
COc1cc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1
InChIKey
LBQFSQYUNNMEMK-UHFFFAOYSA-N
Molecular formula
C24H20ClN3O4
Average molar mass
449.9 g/mol

Names & identifiers

Preferred name
2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
IUPAC
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
English name
2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Molecular formula
C24H20ClN3O4
Molecular weight
449.89

Names & synonyms

607696-30-02-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile2-amino-4-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrileSTK166541STL042683AKOS001723607AKOS005697769AKOS0160606272-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrileST50055759AO-022/41704680F1765-0293
Show more names
4H-Pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6-dihydro-7-methyl-5-oxo-
2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile2-AMINO-4-{4-[(4-CHLOROPHENYL)METHOXY]-3-METHOXYPHENYL}-7-METHYL-5-OXO-4H,5H,6H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE2-amino-4-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-7-methyl-5-oxo-6-hydro -4H-pyrano[3,2-c]pyridine-3-carbonitrile

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
894

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Database identifiers

CAS
607696-30-0