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1137477-50-9 | 2-Pyrazinecarbonitrile, 5-[[5-chloro-4-[methyl(1-methyl-4-piperidinyl)amino]-2-pyridinyl]amino]-
CAS No: 1137477-50-9 Catalog No: AG0009KA MDL No:
Product Description
Catalog Number:
AG0009KA
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-chloro-4-[methyl(1-methyl-4-piperidinyl)amino]-2-pyridinyl]amino]-
CAS Number:
1137477-50-9
Molecular Formula:
C17H20ClN7
Molecular Weight:
357.8406
IUPAC Name:
5-[[5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C17H20ClN7/c1-24-5-3-13(4-6-24)25(2)15-7-16(22-10-14(15)18)23-17-11-20-12(8-19)9-21-17/h7,9-11,13H,3-6H2,1-2H3,(H,21,22,23)
InChI Key:
HLDBXTYLGQKBNQ-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)N(C1CCN(CC1)C)C)Cl
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.846g/mol
Monoisotopic Mass:
357.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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