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1229236-86-5 | Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-
CAS No: 1229236-86-5 Catalog No: AG000JSD MDL No:MFCD19443122
Product Description
Catalog Number:
AG000JSD
Chemical Name:
Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-
CAS Number:
1229236-86-5
Molecular Formula:
C23H25ClFN7O
Molecular Weight:
469.9423
MDL Number:
MFCD19443122
IUPAC Name:
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
InChI:
InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
InChI Key:
SQSZANZGUXWJEA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)F)Cc1c(C)nc2n1nc(Nc1n[nH]c(c1)C)cc2CN1CCOCC1
UNII:
ANC71R916O
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.179g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
469.949g/mol
Monoisotopic Mass:
469.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Differences in gene expression and alterations in cell cycle of acute myeloid leukemia cell lines after treatment with JAK inhibitors. | European journal of pharmacology 20151015 |
| Discovery and characterization of LY2784544, a small-molecule tyrosine kinase inhibitor of JAK2V617F. | Blood cancer journal 20130401 |
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