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1393465-84-3 | Sulfamide, N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-
CAS No: 1393465-84-3 Catalog No: AG001ASS MDL No:
Product Description
Catalog Number:
AG001ASS
Chemical Name:
Sulfamide, N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-
CAS Number:
1393465-84-3
Molecular Formula:
C24H22F2N6O3S
Molecular Weight:
512.5317
IUPAC Name:
5-(2-cyclopropylpyrimidin-5-yl)-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)
InChI Key:
DKNZQPXIIHLUHU-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F)C
Properties
Complexity:
895
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.144g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
512.536g/mol
Monoisotopic Mass:
512.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| RAF inhibitors that evade paradoxical MAPK pathway activation. | Nature 20151022 |
| Boar seminal zinc-precipitable protein and the haemagglutinin. | Journal of reproduction and fertility 19751201 |
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