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

HCID 86677320

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Basic information

Standard SMILES: C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)cc1N1CC(N(C)C)C1
InChIKey: FHBKDTSGEOLEQT-UHFFFAOYSA-N
Molecular formula: C27H29N7O2
Average molar mass: 483.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL14719307FHBKDTSGEOLEQT-UHFFFAOYSA-NN-(2-[3-Dimethylaminoazetidin-1-yl]-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide

Database identifiers

PubChem CID: 86677320

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 760

Related reactions

1 records

New reaction record

HRID 1842666As productuspto-grants-2015_02

Compound notes

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