3-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[5,6-E]pyrimidin-7-yl]-N-methylbenzamide

C₂₅H₃₀N₆O₃CAS 1009298-59-2462.55 g/mol

Open in Covalent MOL file

Amide Ether Tertiary amine

Properties

Molecular formula: C₂₅H₃₀N₆O₃
Molar mass: 462.55 g/mol
Exact mass: 462.2379 Da
logP: 2.50Crippen estimate
Polar surface area: 92.7 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 4
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

1009298-59-2

SMILES

C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C

InChIKey

JUSFANSTBFGBAF-IRXDYDNUSA-N

InChI

InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1

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Names and synonyms

1 names

Vistusertib

Work with 3-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[5,6-E]pyrimidin-7-yl]-N-methylbenzamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-[2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-D]pyrimidin-7-yl]-2-methoxybenzenemethanol1009298-09-257 % similar Rel-5-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-4-(4-morpholinyl)pyrido[2,3-D]pyrimidin-7-yl]-2-methoxybenzenemethanol938440-64-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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