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1236284-88-0 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-fluoro-7-[1-(5-fluoro-2-pyrimidinyl)-4-piperidinyl]-
CAS No: 1236284-88-0 Catalog No: AG000KVY MDL No:
Product Description
Catalog Number:
AG000KVY
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-fluoro-7-[1-(5-fluoro-2-pyrimidinyl)-4-piperidinyl]-
CAS Number:
1236284-88-0
Molecular Formula:
C15H13ClF2N6
Molecular Weight:
350.7537
IUPAC Name:
4-chloro-5-fluoro-7-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C15H13ClF2N6/c16-13-12-11(18)7-24(14(12)22-8-21-13)10-1-3-23(4-2-10)15-19-5-9(17)6-20-15/h5-8,10H,1-4H2
InChI Key:
PGJLNRMFNAGQHL-UHFFFAOYSA-N
SMILES:
Fc1cnc(nc1)N1CCC(CC1)n1cc(c2c1ncnc2Cl)F
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.758g/mol
Monoisotopic Mass:
350.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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