N-(3-fluoro-4-(3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide

HCID 59304337

Notes Reactions

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Basic information

Standard SMILES: CN1CCC(Nc2n[nH]c3nccc(Oc4ccc(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)c23)CC1
InChIKey: MZABKBDFFVWSPY-UHFFFAOYSA-N
Molecular formula: C29H26F2N8O3
Average molar mass: 572.6 g/mol

Names & identifiers

Preferred name: N-(3-fluoro-4-(3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
IUPAC: N-[3-fluoro-4-[[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

Names & synonyms

SCHEMBL3112352MZABKBDFFVWSPY-UHFFFAOYSA-NN-(3-fluoro-4-(3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide

Database identifiers

PubChem CID: 59304337

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 128 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 42
Formal charge: 0
Complexity: 1,030

Related reactions

1 records

New reaction record

HRID 2241335As productuspto-grants-2010_05

Compound notes

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