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1137478-29-5 | 2-Pyrazinecarbonitrile, 5-[[5-(3-hydroxy-1-propyn-1-yl)-4-[(4-piperidinylmethyl)amino]-2-pyridinyl]amino]-
CAS No: 1137478-29-5 Catalog No: AG0009K8 MDL No:
Product Description
Catalog Number:
AG0009K8
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-(3-hydroxy-1-propyn-1-yl)-4-[(4-piperidinylmethyl)amino]-2-pyridinyl]amino]-
CAS Number:
1137478-29-5
Molecular Formula:
C19H21N7O
Molecular Weight:
363.4163
IUPAC Name:
5-[[5-(3-hydroxyprop-1-ynyl)-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C19H21N7O/c20-9-16-12-25-19(13-22-16)26-18-8-17(15(11-24-18)2-1-7-27)23-10-14-3-5-21-6-4-14/h8,11-14,21,27H,3-7,10H2,(H2,23,24,25,26)
InChI Key:
MIXUCXTUJUFAPV-UHFFFAOYSA-N
SMILES:
OCC#Cc1cnc(cc1NCC1CCNCC1)Nc1cnc(cn1)C#N
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.181g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
363.425g/mol
Monoisotopic Mass:
363.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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