N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzamide

HCID 71207995
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Basic information

Standard SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)(C)NCC(O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)c1
InChIKey
DBOHIWGVRQLPIF-UHFFFAOYSA-N
Molecular formula
C45H53N7O5
Average molar mass
771.9 g/mol
Monoisotopic mass
771.41081782

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-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)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-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzamide

Names & synonyms

SCHEMBL14574966

Database identifiers

PubChem CID
71207995

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
152 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
9
Rotatable bonds
16
Heavy atoms
57

Related reactions

2 records
New reaction record

Compound notes

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