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1137477-49-6 | 2-Pyrazinecarbonitrile, 5-[[5-chloro-4-[(1-methyl-4-piperidinyl)amino]-2-pyridinyl]amino]-
CAS No: 1137477-49-6 Catalog No: AG0009KB MDL No:
Product Description
Catalog Number:
AG0009KB
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-chloro-4-[(1-methyl-4-piperidinyl)amino]-2-pyridinyl]amino]-
CAS Number:
1137477-49-6
Molecular Formula:
C16H18ClN7
Molecular Weight:
343.8140
IUPAC Name:
5-[[5-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C16H18ClN7/c1-24-4-2-11(3-5-24)22-14-6-15(21-9-13(14)17)23-16-10-19-12(7-18)8-20-16/h6,8-11H,2-5H2,1H3,(H2,20,21,22,23)
InChI Key:
ZQRCLEWJESQBLV-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC1CCN(CC1)C)Cl
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.819g/mol
Monoisotopic Mass:
343.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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