1-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl}-4-phenylpiperidin-4-ol

HCID 46701463

Notes Reactions

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Basic information

Standard SMILES: CN1CCN(c2cc(N3CCc4ccc(N5CCC(O)(c6ccccc6)CC5)cc4C3)nc(N)n2)CC1
InChIKey: PWXDQMNMRWIYMT-UHFFFAOYSA-N
Molecular formula: C29H37N7O
Average molar mass: 499.6 g/mol

Names & identifiers

Preferred name: 1-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl}-4-phenylpiperidin-4-ol
IUPAC: 1-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenylpiperidin-4-ol

Names & synonyms

SCHEMBL2520827PWXDQMNMRWIYMT-UHFFFAOYSA-N1-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl}-4-phenylpiperidin-4-ol

Database identifiers

PubChem CID: 46701463

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 85 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 37
Formal charge: 0
Complexity: 732

Related reactions

2 records

New reaction record

HRID 166195As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 2090323As productuspto-grants-2013_05

Compound notes

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