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1137475-66-1 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)amino]-2-pyridinyl]amino]-
CAS No: 1137475-66-1 Catalog No: AG0009JQ MDL No:
Product Description
Catalog Number:
AG0009JQ
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)amino]-2-pyridinyl]amino]-
CAS Number:
1137475-66-1
Molecular Formula:
C18H22N8
Molecular Weight:
350.4209
IUPAC Name:
5-[[5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C18H22N8/c1-26-13-2-3-14(26)5-11(4-13)24-16-6-17(23-9-15(16)20)25-18-10-21-12(7-19)8-22-18/h6,8-11,13-14H,2-5,20H2,1H3,(H2,22,23,24,25)
InChI Key:
OJEALPHSYVCGIW-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC1CC2CCC(C1)N2C)N
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.197g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
350.43g/mol
Monoisotopic Mass:
350.197g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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