Home Sulfos N-[2,4-Difluoro-3-[[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-2-propanesulfonamide

N-[2,4-Difluoro-3-[[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-2-propanesulfonamide

CAS No.:
918505-61-0
Catalog Number:
AG00GU20
Molecular Formula:
C22H18F2N4O2S
Molecular Weight:
440.4657
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$307
- +
50mg
98%
1 week
United States
$990
- +
Product Description
Catalog Number:
AG00GU20
Chemical Name:
N-[2,4-Difluoro-3-[[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-2-propanesulfonamide
CAS Number:
918505-61-0
Molecular Formula:
C22H18F2N4O2S
Molecular Weight:
440.4657
MDL Number:
MFCD16659048
IUPAC Name:
N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfinamide
InChI:
InChI=1S/C22H18F2N4O2S/c1-12(2)31(30)28-18-6-5-17(23)19(20(18)24)21(29)16-11-27-22-15(16)8-14(10-26-22)13-4-3-7-25-9-13/h3-12,28H,1-2H3,(H,26,27)
InChI Key:
USQPXRQLUWVIAC-UHFFFAOYSA-N
SMILES:
CC(S(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cccnc1)F)C
Properties
Complexity:
669  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.112g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
440.469g/mol
Monoisotopic Mass:
440.112g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties