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1438391-30-0 | 1H-Indazole, 3-[3-[2-(1-piperidinyl)ethoxy]phenyl]-5-(1H-1,2,4-triazol-5-yl)-, hydrochloride (1:1)
CAS No: 1438391-30-0 Catalog No: AG001IGL MDL No:MFCD21364765
Product Description
Catalog Number:
AG001IGL
Chemical Name:
1H-Indazole, 3-[3-[2-(1-piperidinyl)ethoxy]phenyl]-5-(1H-1,2,4-triazol-5-yl)-, hydrochloride (1:1)
CAS Number:
1438391-30-0
Molecular Formula:
C22H25ClN6O
Molecular Weight:
424.9265
MDL Number:
MFCD21364765
IUPAC Name:
3-[3-(2-piperidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;hydrochloride
InChI:
InChI=1S/C22H24N6O.ClH/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21;/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27);1H
InChI Key:
OIBVXKYKWOUGAO-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1[nH]ncn1.Cl
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.178g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
424.933g/mol
Monoisotopic Mass:
424.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| c-Jun N-terminal kinase mediates hepatic injury after rat liver transplantation. | Transplantation 20040815 |
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