N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[2-hydroxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]-2-methylpropyl]benzamide

HCID 66989986
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Basic information

Standard SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)(C)NCC(O)c2ccc(OCc3ccccc3)c(CO)c2)c1
InChIKey
UZHFTHQUAASLOD-UHFFFAOYSA-N
Molecular formula
C43H54N6O5
Average molar mass
734.9 g/mol
Monoisotopic mass
734.41556884

Names & identifiers

Preferred name
N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[2-hydroxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]-2-methylpropyl]benzamide
IUPAC
N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[2-hydroxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]-2-methylpropyl]benzamide

Names & synonyms

SCHEMBL1315397

Database identifiers

PubChem CID
66989986

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
143 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
9
Rotatable bonds
17
Heavy atoms
54

Related reactions

1 records
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Compound notes

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