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CAS No.:
1859158-65-8
Catalog Number:
AG01DXBD
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DXBD
CAS Number:
1859158-65-8
MDL Number:
MFCD30490728
IUPAC Name:
(3-amino-2,6-difluorophenyl)-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
InChI:
InChI=1S/C21H15F2N5O/c22-15-3-4-16(24)18(23)17(15)19(29)14-9-28-21-13(14)5-11(6-27-21)12-7-25-20(26-8-12)10-1-2-10/h3-10H,1-2,24H2,(H,27,28)
InChI Key:
NWEZSMXNEDUTNP-UHFFFAOYSA-N
Properties
Complexity:
612  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.124g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
391.382g/mol
Monoisotopic Mass:
391.124g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties