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824968-45-8 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-ethyl-5-(2-pyridinyl)-
CAS No: 824968-45-8 Catalog No: AG004ZG5 MDL No:
Product Description
Catalog Number:
AG004ZG5
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-ethyl-5-(2-pyridinyl)-
CAS Number:
824968-45-8
Molecular Formula:
C17H14N4
Molecular Weight:
274.3199
IUPAC Name:
3-ethyl-5-pyridin-2-yl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C17H14N4/c1-2-13-17-16(21-20-13)12-8-4-3-7-11(12)15(19-17)14-9-5-6-10-18-14/h3-10H,2H2,1H3,(H,20,21)
InChI Key:
IJBHYUAMCKXDTM-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c2c1nc(c1ccccn1)c1c2cccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.327g/mol
Monoisotopic Mass:
274.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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