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Home > Indoles and Oxindole > 1254036-77-5
1254036-77-5 | 1H-Indazole, 6-(1H-indol-4-yl)-4-[5-[[4-(1-methylethyl)-1-piperazinyl]methyl]-2-oxazolyl]-, hydrochloride (1:1)
CAS No: 1254036-77-5 Catalog No: AG000NMS MDL No:
Product Description
Catalog Number:
AG000NMS
Chemical Name:
1H-Indazole, 6-(1H-indol-4-yl)-4-[5-[[4-(1-methylethyl)-1-piperazinyl]methyl]-2-oxazolyl]-, hydrochloride (1:1)
CAS Number:
1254036-77-5
Molecular Formula:
C26H29ClN6O
Molecular Weight:
477.0011
IUPAC Name:
2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
InChI:
InChI=1S/C26H28N6O.ClH/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24;/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30);1H
InChI Key:
GECUEJGEJLAXQA-UHFFFAOYSA-N
SMILES:
CC(N1CCN(CC1)Cc1cnc(o1)c1cc(cc2c1cn[nH]2)c1cccc2c1cc[nH]2)C.Cl
UNII:
II4WQU7U3O
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.209g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
477.009g/mol
Monoisotopic Mass:
476.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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