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824968-48-1 | 1H-Pyrazolo[4,3-c]isoquinoline, 7-methoxy-3-methyl-5-(2-pyridinyl)-
CAS No: 824968-48-1 Catalog No: AG008J7A MDL No:
Product Description
Catalog Number:
AG008J7A
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 7-methoxy-3-methyl-5-(2-pyridinyl)-
CAS Number:
824968-48-1
Molecular Formula:
C17H14N4O
Molecular Weight:
290.3193
IUPAC Name:
7-methoxy-3-methyl-5-pyridin-2-yl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C17H14N4O/c1-10-15-17(21-20-10)12-7-6-11(22-2)9-13(12)16(19-15)14-5-3-4-8-18-14/h3-9H,1-2H3,(H,20,21)
InChI Key:
HLJHKDGXUMOMLO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(nc1c2[nH]nc1C)c1ccccn1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.117g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.326g/mol
Monoisotopic Mass:
290.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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