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925239-03-8 | N-[(1R)-1-[4-[(2,4-DIMETHOXYPHENYL)METHYL]-5-(2-PHENYYLETHYL)-4H-1,2,4-TRIAZOL-3-YL]-2-(1H-INDOL-3-YL)ETHYL]-2-PYRIDINECARBOXAMIDE
CAS No: 925239-03-8 Catalog No: AG00GTAZ MDL No:
Product Description
Catalog Number:
AG00GTAZ
Chemical Name:
N-[(1R)-1-[4-[(2,4-DIMETHOXYPHENYL)METHYL]-5-(2-PHENYYLETHYL)-4H-1,2,4-TRIAZOL-3-YL]-2-(1H-INDOL-3-YL)ETHYL]-2-PYRIDINECARBOXAMIDE
CAS Number:
925239-03-8
Molecular Formula:
C35H34N6O3
Molecular Weight:
586.6829
IUPAC Name:
N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
InChI:
InChI=1S/C35H34N6O3/c1-43-27-17-16-25(32(21-27)44-2)23-41-33(18-15-24-10-4-3-5-11-24)39-40-34(41)31(38-35(42)30-14-8-9-19-36-30)20-26-22-37-29-13-7-6-12-28(26)29/h3-14,16-17,19,21-22,31,37H,15,18,20,23H2,1-2H3,(H,38,42)
InChI Key:
UMGBPWZCCHVQAY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)Cn1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)c1ccccn1
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.269g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
586.696g/mol
Monoisotopic Mass:
586.269g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| New trisubstituted 1,2,4-triazole derivatives as potent ghrelin receptor antagonists. 3. Synthesis and pharmacological in vitro and in vivo evaluations. | Journal of medicinal chemistry 20080214 |
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