N-(5-{[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-2-{3-dimethylaminoazetidin-1-yl}-4-methoxyphenyl)prop-2-enamide

HCID 86677282

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Basic information

Standard SMILES: C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)c(OC)cc1N1CC(N(C)C)C1
InChIKey: SYRIIGOEKWERHZ-UHFFFAOYSA-N
Molecular formula: C27H28ClN7O2
Average molar mass: 518 g/mol

Names & identifiers

Preferred name: N-(5-{[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-2-{3-dimethylaminoazetidin-1-yl}-4-methoxyphenyl)prop-2-enamide
IUPAC: N-[5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[3-(dimethylamino)azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide

Names & synonyms

SCHEMBL14719276SYRIIGOEKWERHZ-UHFFFAOYSA-NN-(5-{[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-2-{3-dimethylaminoazetidin-1-yl}-4-methoxyphenyl)prop-2-enamide

Database identifiers

PubChem CID: 86677282

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 37
Formal charge: 0
Complexity: 797

Related reactions

1 records

New reaction record

HRID 1842646As productuspto-grants-2015_02

Compound notes

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