5-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl}-N-methylpyridine-2-carboxamide

HCID 46701049

Notes Reactions

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Basic information

Standard SMILES: CNC(=O)c1ccc(-c2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)CC3)cn1
InChIKey: SGFXJTJRKYJCMK-UHFFFAOYSA-N
Molecular formula: C25H30N8O
Average molar mass: 458.6 g/mol

Names & identifiers

Preferred name: 5-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl}-N-methylpyridine-2-carboxamide
IUPAC: 5-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpyridine-2-carboxamide

Names & synonyms

SCHEMBL2492711SGFXJTJRKYJCMK-UHFFFAOYSA-N5-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl}-N-methylpyridine-2-carboxamide

Database identifiers

PubChem CID: 46701049

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 34
Formal charge: 0
Complexity: 686

Related reactions

2 records

New reaction record

HRID 211071As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2090282As productuspto-grants-2013_05

Compound notes

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