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1202757-89-8 | N-[3-[[5-Fluoro-2-[[4-(2-methoxyethoxy)phenyl]amino]-4-pyrimidinyl]amino]phenyl]-2-propenamide
CAS No: 1202757-89-8 Catalog No: AG003A6K MDL No:MFCD25976876
Product Description
Catalog Number:
AG003A6K
Chemical Name:
N-[3-[[5-Fluoro-2-[[4-(2-methoxyethoxy)phenyl]amino]-4-pyrimidinyl]amino]phenyl]-2-propenamide
CAS Number:
1202757-89-8
Molecular Formula:
C22H22FN5O3
Molecular Weight:
423.4402
MDL Number:
MFCD25976876
IUPAC Name:
N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
InChI:
InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
InChI Key:
KXBDTLQSDKGAEB-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)F
UNII:
DRU6NG543J
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.171g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
423.448g/mol
Monoisotopic Mass:
423.171g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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