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824968-75-4 | 1H-Pyrazolo[4,3-c]isoquinoline, 3,9-dimethyl-5-(2-pyridinyl)-
CAS No: 824968-75-4 Catalog No: AG008J76 MDL No:
Product Description
Catalog Number:
AG008J76
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3,9-dimethyl-5-(2-pyridinyl)-
CAS Number:
824968-75-4
Molecular Formula:
C17H14N4
Molecular Weight:
274.3199
IUPAC Name:
3,9-dimethyl-5-pyridin-2-yl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C17H14N4/c1-10-6-5-7-12-14(10)17-15(11(2)20-21-17)19-16(12)13-8-3-4-9-18-13/h3-9H,1-2H3,(H,20,21)
InChI Key:
KCPHOWSDUWSOGS-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1nc(c1ccccn1)c1c2c(C)ccc1
Properties
Complexity:
374
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:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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