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824968-88-9 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-[2-(methylthio)-3-pyridinyl]-
CAS No: 824968-88-9 Catalog No: AG00581C MDL No:
Product Description
Catalog Number:
AG00581C
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-[2-(methylthio)-3-pyridinyl]-
CAS Number:
824968-88-9
Molecular Formula:
C17H14N4S
Molecular Weight:
306.3849
IUPAC Name:
3-methyl-5-(2-methylsulfanylpyridin-3-yl)-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C17H14N4S/c1-10-14-16(21-20-10)12-7-4-3-6-11(12)15(19-14)13-8-5-9-18-17(13)22-2/h3-9H,1-2H3,(H,20,21)
InChI Key:
YKRPFIZCLCLMFZ-UHFFFAOYSA-N
SMILES:
CSc1ncccc1c1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.387g/mol
Monoisotopic Mass:
306.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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