chempirical

Defosbarasertib

C26H30FN7O3CAS 722544-51-6507.57 g/mol

Open in Covalent MOL file
NONNHNNNHONHFHO
AlcoholAmideAryl halideEtherSecondary amineTertiary amine

Properties

Molecular formula
C26H30FN7O3
Molar mass
507.57 g/mol
Exact mass
507.2394 Da
logP
3.50Crippen estimate
Polar surface area
128.3 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
13

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
722544-51-6
SMILES
CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO
InChIKey
QYZOGCMHVIGURT-UHFFFAOYSA-N
InChI
InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)

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Names and synonyms

1 names
  • 1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-

Work with Defosbarasertib

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

Barasertib722543-31-942 % similar Hydroxychloroquine118-42-333 % similar Gefitinib184475-35-232 % similar Hydroxychloroquine sulfate747-36-432 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-631 % similar Canertinib267243-28-731 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook