Pacritinib

C₂₈H₃₂N₄O₃CAS 937272-79-2472.59 g/mol

Open in Covalent MOL file

Alkene Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₈H₃₂N₄O₃
Molar mass: 472.59 g/mol
Exact mass: 472.2474 Da
logP: 4.96Crippen estimate
Polar surface area: 68.7 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

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

937272-79-2

SMILES

C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1

InChIKey

HWXVIOGONBBTBY-ONEGZZNKSA-N

InChI

InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+

Weigh it out

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

Names and synonyms

3 names

14,19-Dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, 11-[2-(1-pyrrolidinyl)ethoxy]-, (16E)-
(16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene
SB 1518

Work with Pacritinib

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

Cyc-116693228-63-631 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook