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Tozasertib

C23H28N8OSCAS 639089-54-6464.59 g/mol

Open in Covalent MOL file
NNNNSHNONHNNH
AmideSulfideTertiary amine

Properties

Molecular formula
C23H28N8OS
Molar mass
464.59 g/mol
Exact mass
464.2107 Da
logP
2.93Crippen estimate
Polar surface area
105.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
6

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
639089-54-6
SMILES
Cc1cc(=Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH][nH]1
InChIKey
GCIKSSRWRFVXBI-UHFFFAOYSA-N
InChI
InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)

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Names and synonyms

5 names
  • Cyclopropanecarboxamide, N-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-
  • N-[4-[[4-(4-Methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide
  • Cyclopropanecarboxylic acid N-[4-[[4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl]sulfanyl]phenyl]amide
  • VX 680
  • MK 0457

Work with Tozasertib

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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