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Home > Other Heterocycles > 1197815-64-7
1197815-64-7 | 2’-(1,1-Dimethylethyl)-2’,6’-dihydro-1-(1H-indazol-5-ylcarbonyl)spiro[piperidine-4,5’(7’H)-pyrano[3,2-c]pyrazol]-7’-one
CAS No: 1197815-64-7 Catalog No: AG01E026 MDL No:
Product Description
Catalog Number:
AG01E026
Chemical Name:
2’-(1,1-Dimethylethyl)-2’,6’-dihydro-1-(1H-indazol-5-ylcarbonyl)spiro[piperidine-4,5’(7’H)-pyrano[3,2-c]pyrazol]-7’-one
CAS Number:
1197815-64-7
IUPAC Name:
2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
InChI:
InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)
InChI Key:
MDLAYXJCVDNKAB-UHFFFAOYSA-N
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.196g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.474g/mol
Monoisotopic Mass:
407.196g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Spirolactam-based acetyl-CoA carboxylase inhibitors: toward improved metabolic stability of a chromanone lead structure. | Journal of medicinal chemistry 20130912 |
| Maximizing lipophilic efficiency: the use of Free-Wilson analysis in the design of inhibitors of acetyl-CoA carboxylase. | Journal of medicinal chemistry 20120126 |
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