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1031668-11-7 | 3-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-3H-imidazo[4,5-b]pyridine
CAS No: 1031668-11-7 Catalog No: AG00J557 MDL No:MFCD14281726
Product Description
Catalog Number:
AG00J557
Chemical Name:
3-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-3H-imidazo[4,5-b]pyridine
CAS Number:
1031668-11-7
Molecular Formula:
C19H23N5
Molecular Weight:
321.4194
MDL Number:
MFCD14281726
IUPAC Name:
3-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
InChI:
InChI=1S/C19H23N5/c1-14-10-15(2)12-16(11-14)24-18(13-23-8-6-20-7-9-23)22-17-4-3-5-21-19(17)24/h3-5,10-12,20H,6-9,13H2,1-2H3
InChI Key:
ANMODMNPCCOBIY-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)n1c(CN2CCNCC2)nc2c1nccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.428g/mol
Monoisotopic Mass:
321.195g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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