4-(4-methylpiperazin-1-yl)-6-[7-[(3-phenylpyrrolidin-1-yl)carbonyl]-3,4-dihydroisoquinolin-2(1H)-yl]pyrimidin-2-amine

HCID 46701322

Notes Reactions

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Basic information

Standard SMILES: CN1CCN(c2cc(N3CCc4ccc(C(=O)N5CCC(c6ccccc6)C5)cc4C3)nc(N)n2)CC1
InChIKey: LINBAWYCZRFWCR-UHFFFAOYSA-N
Molecular formula: C29H35N7O
Average molar mass: 497.6 g/mol

Names & identifiers

Preferred name: 4-(4-methylpiperazin-1-yl)-6-[7-[(3-phenylpyrrolidin-1-yl)carbonyl]-3,4-dihydroisoquinolin-2(1H)-yl]pyrimidin-2-amine
IUPAC: [2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-(3-phenylpyrrolidin-1-yl)methanone

Names & synonyms

SCHEMBL2513990LINBAWYCZRFWCR-UHFFFAOYSA-N4-(4-methylpiperazin-1-yl)-6-[7-[(3-phenylpyrrolidin-1-yl)carbonyl]-3,4-dihydroisoquinolin-2(1H)-yl]pyrimidin-2-amine

Database identifiers

PubChem CID: 46701322

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 81.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 37
Formal charge: 0
Complexity: 767

Related reactions

2 records

New reaction record

HRID 2090311As productuspto-grants-2013_05

HRID 2338871As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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