Basic information
- Standard SMILES
COc1ccc(COc2ccc(Cn3c(N)nc4cc(C#CCCO)cnc43)cc2OC)cn1- InChIKey
XOTYCWCEXOJPBF-UHFFFAOYSA-N- Molecular formula
- C25H25N5O4
- Average molar mass
- 459.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-amino-3-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)benzyl)-3H-imidazo[4,5-b]pyridin-6-yl)but-3-yn-1-ol
- IUPAC
- 4-[2-amino-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol
Names & synonyms
CHEMBL3678289SCHEMBL16763087XOTYCWCEXOJPBF-UHFFFAOYSA-NBDBM164947US9067914, Ex. 3-424-(2-amino-3-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)benzyl)-3H-imidazo[4,5-b]pyridin-6-yl)but-3-yn-1-ol
Database identifiers
- PubChem CID
- 118009832
- ChEMBL
CHEMBL3678289
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 699
Related reactions
2 records
Compound notes
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