(S)-2-(2-((4-amino-6-methyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)pyrrolidine-1-carbonyl)-4-(dimethylamino)-4-methylpent-2-enenitrile

HCID 71014107

Basic information

Standard SMILES
Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C[C@@H]1CCCN1C(=O)C(C#N)=CC(C)(C)N(C)C
InChIKey
MGOWUKVRTVSTIO-VWLOTQADSA-N
Molecular formula
C33H37N7O2
Average molar mass
563.7 g/mol
Monoisotopic mass
563.30087345

Names & identifiers

Preferred name
(S)-2-(2-((4-amino-6-methyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)pyrrolidine-1-carbonyl)-4-(dimethylamino)-4-methylpent-2-enenitrile
IUPAC
2-[(2S)-2-[[4-amino-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]pyrrolidine-1-carbonyl]-4-(dimethylamino)-4-methylpent-2-enenitrile

Names & synonyms

CHEMBL5745023SCHEMBL13857903MGOWUKVRTVSTIO-VWLOTQADSA-N(S)-2-(2-((4-amino-6-methyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)pyrrolidine-1-carbonyl)-4-(dimethylamino)-4-methylpent-2-enenitrile

Database identifiers

PubChem CID
71014107
ChEMBL
CHEMBL5745023

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
42

Related reactions

7 records

Compound notes

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