5-Chloro-N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine

HCID 71270076
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Basic information

Standard SMILES
COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIKey
HEVMGIPNTDFSFF-OAHLLOKOSA-N
Molecular formula
C25H26ClN7O3
Average molar mass
508 g/mol
Monoisotopic mass
507.1785654

Names & identifiers

Preferred name
5-Chloro-N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine
IUPAC
5-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine

Names & synonyms

SCHEMBL14718867HEVMGIPNTDFSFF-OAHLLOKOSA-N5-Chloro-N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine

Database identifiers

PubChem CID
71270076

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
36

Related reactions

1 records
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Compound notes

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5-Chloro-N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine (HCID 71270076)｜Huagongshe