1H-Indazole-3-carbonitrile, 4-chloro-7-[(3S)-3-[4-[4-[[4-[1-methyl-6-(tetrahy...
C43H48ClN9O2
3056515-10-4 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
3056515-10-4

> <ca.index.name>
1H-Indazole-3-carbonitrile, 4-chloro-7-[(3S)-3-[4-[4-[[4-[1-methyl-6-(tetrahydro-2,4-dioxo-1(2H)-pyrimidinyl)-1H-indol-2-yl]-1-piperidinyl]methyl]-1-piperidinyl]phenyl]-1-piperidinyl]-

> <molecular.formula>
C43H48ClN9O2

> <smiles.canonical>
N#CC1=NNC=2C(=CC=C(Cl)C12)N3CCCC(C4=CC=C(C=C4)N5CCC(CN6CCC(C7=CC=8C=CC(=CC8N7C)N9C(=O)NC(=O)CC9)CC6)CC5)C3

> <smiles.isomeric>
C(#N)C=1C=2C(=C(C=CC2Cl)N3C[C@@H](CCC3)C4=CC=C(C=C4)N5CCC(CN6CCC(CC6)C=7N(C)C=8C(C7)=CC=C(C8)N9C(=O)NC(=O)CC9)CC5)NN1

> <molecular.weight>
758.35

> <density.predicted>
1.420±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.289±0.10    Most Acidic Temp: 25 °C

$$$$
