1-(3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-2-(hydroxymethyl)phenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
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Basic information
- Standard SMILES
CN1CCN(c2ccc3c(C#N)cn(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)c3n2)CC1- InChIKey
SDHVHAHYCHOEHC-UHFFFAOYSA-N- Molecular formula
- C32H32FN7O2
- Average molar mass
- 565.6 g/mol
Names & identifiers
- Preferred name
- 1-(3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-2-(hydroxymethyl)phenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
- IUPAC
- 1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL13834548SDHVHAHYCHOEHC-UHFFFAOYSA-N1-(3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-2-(hydroxymethyl)phenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 71008043
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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