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CAS 1869912-40-2

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2-Naphthalenecarboxylic acid, 6-hydroxy-, compd. with (3R)-4-[2-[4-[1-(3-methoxy-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy]ethyl]-1,3-dimethyl-2-piperazinone (1:1)

Description:
The compound identified by the name "2-Naphthalenecarboxylic acid, 6-hydroxy-, compd. with (3R)-4-[2-[4-[1-(3-methoxy-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy]ethyl]-1,3-dimethyl-2-piperazinone (1:1)" and CAS number 1869912-40-2 is a complex organic molecule that features a naphthalene derivative and a piperazine-based moiety. This compound likely exhibits properties typical of both its naphthalene and piperazine components, such as potential aromaticity, hydrophobic characteristics, and the ability to engage in hydrogen bonding due to the presence of hydroxyl and carboxylic acid functional groups. The presence of the triazole and piperidine rings suggests potential biological activity, possibly influencing pharmacological properties. Such compounds are often investigated for their roles in medicinal chemistry, particularly in the development of pharmaceuticals targeting various biological pathways. The specific interactions and stability of this compound would depend on its molecular conformation and the environment in which it is studied.
Formula:C25H33N7O3·C11H8O3
InChI:InChI=1S/C25H33N7O3.C11H8O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h4-9,18,20H,10-17H2,1-3H3;1-6,12H,(H,13,14)/t18-;/m1./s1
InChI key:InChIKey=UNZQBHXKCHECEC-GMUIIQOCSA-N
SMILES:O(C)C=1N2C(C=CC(=N2)N3CCC(CC3)C4=CC=C(OCCN5[C@H](C)C(=O)N(C)CC5)C=C4)=NN1.C(O)(=O)C1=CC2=C(C=C(O)C=C2)C=C1
Synonyms:
  • 2-Naphthalenecarboxylic acid, 6-hydroxy-, compd. with (3R)-4-[2-[4-[1-(3-methoxy-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy]ethyl]-1,3-dimethyl-2-piperazinone (1:1)
  • AZD5153 6-Hydroxy-2-naphthoic acid
  • AZD5153 HNT salt
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