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2040295-05-2 | alpha-[6-(Di-Boc-amino)-3-pyridyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine-3-methanol
CAS No: 2040295-05-2 Catalog No: AG01FLMO MDL No:
Product Description
Catalog Number:
AG01FLMO
Chemical Name:
alpha-[6-(Di-Boc-amino)-3-pyridyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine-3-methanol
CAS Number:
2040295-05-2
IUPAC Name:
tert-butyl N-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]pyridin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C23H27ClN4O5/c1-22(2,3)32-20(30)28(21(31)33-23(4,5)6)17-8-7-13(10-25-17)18(29)16-12-27-19-15(16)9-14(24)11-26-19/h7-12,18,29H,1-6H3,(H,26,27)
InChI Key:
XHVLVMPQFCHPDQ-UHFFFAOYSA-N
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.167g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.942g/mol
Monoisotopic Mass:
474.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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