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1137476-66-4 | 2-Pyrazinecarbonitrile, 5-[[4-[(1-methyl-4-piperidinyl)amino]-5-(1H-pyrrol-1-yl)-2-pyridinyl]amino]-
CAS No: 1137476-66-4 Catalog No: AG0009KI MDL No:
Product Description
Catalog Number:
AG0009KI
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[4-[(1-methyl-4-piperidinyl)amino]-5-(1H-pyrrol-1-yl)-2-pyridinyl]amino]-
CAS Number:
1137476-66-4
Molecular Formula:
C20H22N8
Molecular Weight:
374.4423
IUPAC Name:
5-[[4-[(1-methylpiperidin-4-yl)amino]-5-pyrrol-1-ylpyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C20H22N8/c1-27-8-4-15(5-9-27)25-17-10-19(24-13-18(17)28-6-2-3-7-28)26-20-14-22-16(11-21)12-23-20/h2-3,6-7,10,12-15H,4-5,8-9H2,1H3,(H2,23,24,25,26)
InChI Key:
PCNNHJICYRPRPA-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC1CCN(CC1)C)n1cccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.197g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.452g/mol
Monoisotopic Mass:
374.197g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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