N-(4-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine

HCID 57756271

Notes Reactions

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Basic information

Standard SMILES: CNc1cc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)cc2)ccn1
InChIKey: GAYIWZUYJLNWGX-UHFFFAOYSA-N
Molecular formula: C31H24N6O
Average molar mass: 496.6 g/mol

Names & identifiers

Preferred name: N-(4-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine
IUPAC: N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]-4-phenylphthalazin-1-amine

Names & synonyms

SCHEMBL580426GAYIWZUYJLNWGX-UHFFFAOYSA-NN-(4-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amineN-(4-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)-4-phenyphthalazin-1-amineN-(4-(3-(2-(methylamino)pyridin4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine

Database identifiers

PubChem CID: 57756271

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 38
Formal charge: 0
Complexity: 710

Related reactions

5 records

New reaction record

HRID 227779As productuspto-grants-2009_07

HRID 593955As productuspto-grants-2016_01

HRID 911140As productuspto-grants-2011_09

HRID 2158197As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2361046As productuspto-grants-2014_04

Compound notes

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