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824968-69-6 | 1H-Pyrazolo[4,3-c]isoquinoline, 6-chloro-3-methyl-5-(2-pyridinyl)-
CAS No: 824968-69-6 Catalog No: AG00581E MDL No:
Product Description
Catalog Number:
AG00581E
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 6-chloro-3-methyl-5-(2-pyridinyl)-
CAS Number:
824968-69-6
Molecular Formula:
C16H11ClN4
Molecular Weight:
294.7383
IUPAC Name:
6-chloro-3-methyl-5-pyridin-2-yl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C16H11ClN4/c1-9-14-15(21-20-9)10-5-4-6-11(17)13(10)16(19-14)12-7-2-3-8-18-12/h2-8H,1H3,(H,20,21)
InChI Key:
SHKUUYYUBHYABW-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1c(nc1c2[nH]nc1C)c1ccccn1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.742g/mol
Monoisotopic Mass:
294.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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