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824968-43-6 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-(6-chloro-3-pyridinyl)-3-methyl-
CAS No: 824968-43-6 Catalog No: AG00581K MDL No:
Product Description
Catalog Number:
AG00581K
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-(6-chloro-3-pyridinyl)-3-methyl-
CAS Number:
824968-43-6
Molecular Formula:
C16H11ClN4
Molecular Weight:
294.7383
IUPAC Name:
5-(6-chloropyridin-3-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C16H11ClN4/c1-9-14-16(21-20-9)12-5-3-2-4-11(12)15(19-14)10-6-7-13(17)18-8-10/h2-8H,1H3,(H,20,21)
InChI Key:
BUJNKGRJEDRUMZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)c1nc2c(C)n[nH]c2c2c1cccc2
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:
3.8
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