Home Aminos (Z)-3-(4-aminophenyl)-1-(4-((2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl)piperidin-1-yl)-3-phenylprop-2-en-1-one

(Z)-3-(4-aminophenyl)-1-(4-((2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl)piperidin-1-yl)-3-phenylprop-2-en-1-one

CAS No.:
179173-55-8
Catalog Number:
AG01DGKZ
Molecular Formula:
C28H29N5O
Molecular Weight:
451.5628
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Product Description
Catalog Number:
AG01DGKZ
Chemical Name:
(Z)-3-(4-aminophenyl)-1-(4-((2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl)piperidin-1-yl)-3-phenylprop-2-en-1-one
CAS Number:
179173-55-8
Molecular Formula:
C28H29N5O
Molecular Weight:
451.5628
MDL Number:
MFCD09833861
IUPAC Name:
(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C28H29N5O/c1-20-31-26-18-30-14-11-27(26)33(20)19-21-12-15-32(16-13-21)28(34)17-25(22-5-3-2-4-6-22)23-7-9-24(29)10-8-23/h2-11,14,17-18,21H,12-13,15-16,19,29H2,1H3/b25-17-
InChI Key:
SHRZPPGBHUQHFN-UQQQWYQISA-N
SMILES:
Nc1ccc(cc1)/C(=C\C(=O)N1CCC(CC1)Cn1c(C)nc2c1ccnc2)/c1ccccc1
Properties
Complexity:
704  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
451.237g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
451.574g/mol
Monoisotopic Mass:
451.237g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Novel azo derivatives as prodrugs of 5-aminosalicylic acid and amino derivatives with potent platelet activating factor antagonist activity. Journal of medicinal chemistry 20010830
Properties