2-(3-benzoylphenyl)-N-(5-(7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)pyridin-3-yl)acetamide

HCID 70817565

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Basic information

Standard SMILES: CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(=O)c4ccccc4)c3)c2)c2cncnc21
InChIKey: KFIIEKPBAXGUGZ-UHFFFAOYSA-N
Molecular formula: C30H25N5O3
Average molar mass: 503.5 g/mol

Names & identifiers

Preferred name: 2-(3-benzoylphenyl)-N-(5-(7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)pyridin-3-yl)acetamide
IUPAC: 2-(3-benzoylphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

Names & synonyms

CHEMBL3666287SCHEMBL12985187KFIIEKPBAXGUGZ-UHFFFAOYSA-NBDBM134820US8846698, 2882-(3-benzoylphenyl)-N-(5-(7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)pyridin-3-yl)acetamide

Database identifiers

PubChem CID: 70817565
ChEMBL: CHEMBL3666287

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 38
Formal charge: 0
Complexity: 844

Related reactions

1 records

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HRID 82096As productuspto-grants-2014_09

Compound notes

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