Pictilisib

C₂₃H₂₇N₇O₃S₂CAS 957054-30-7513.64 g/mol

Open in Covalent MOL file

Ether Sulfonamide Tertiary amine

Properties

Molecular formula: C₂₃H₂₇N₇O₃S₂
Molar mass: 513.64 g/mol
Exact mass: 513.1617 Da
logP: 2.15Crippen estimate
Polar surface area: 107.5 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

957054-30-7

SMILES

CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1

InChIKey

LHNIIDJUOCFXAP-UHFFFAOYSA-N

InChI

InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Thieno[3,2-d]pyrimidine, 2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-
2-(1H-Indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)thieno[3,2-d]pyrimidine
4-[2-(1H-Indazol-4-yl)-6-[[4-(methylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
GDC 0941
GDC 941
GNE 0941

Work with Pictilisib

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

Elsewhere

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