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1236284-39-1 | 1-Piperidinecarboxylic acid, 4-(4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, 1,1-dimethylethyl ester
CAS No: 1236284-39-1 Catalog No: AG000KW0 MDL No:
Product Description
Catalog Number:
AG000KW0
Chemical Name:
1-Piperidinecarboxylic acid, 4-(4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, 1,1-dimethylethyl ester
CAS Number:
1236284-39-1
Molecular Formula:
C16H20ClFN4O2
Molecular Weight:
354.8070
IUPAC Name:
tert-butyl 4-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H20ClFN4O2/c1-16(2,3)24-15(23)21-6-4-10(5-7-21)22-8-11(18)12-13(17)19-9-20-14(12)22/h8-10H,4-7H2,1-3H3
InChI Key:
HSILQYKOGVHNCE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1cc(c2c1ncnc2Cl)F)OC(C)(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.81g/mol
Monoisotopic Mass:
354.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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