2-Pyrrolidinecarboxamide, 1-[(2S)-2-[4-[4-[[[6-cyclopropyl-4-(1S,4S)-2,5-diaz...
C60H65FN12O7S
2821793-99-9 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
2821793-99-9

> <ca.index.name>
2-Pyrrolidinecarboxamide, 1-[(2S)-2-[4-[4-[[[6-cyclopropyl-4-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]-8-quinazolinyl]oxy]methyl]phenyl]-1H-1,2,3-triazol-1-yl]-3-methyl-1-oxobutyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (2S,4R)-

> <molecular.formula>
C60H65FN12O7S

> <smiles.canonical>
O=C(NC(C=1C=CC(=CC1)C=2SC=NC2C)CO)C3N(C(=O)C(N4N=NC(=C4)C=5C=CC(=CC5)COC6=C7N=C(N=C(C7=CC(=C6C8=C9C=NNC9=CC(F)=C8C)C%10CC%10)N%11CC%12NCC%11C%12)OC%13CCOCC%13)C(C)C)CC(O)C3

> <smiles.isomeric>
O(CC1=CC=C(C=C1)C2=CN([C@H](C(=O)N3[C@H](C(N[C@@H](CO)C4=CC=C(C=C4)C5=C(C)N=CS5)=O)C[C@@H](O)C3)[C@H](C)C)N=N2)C6=C(C(=CC7=C6N=C(OC8CCOCC8)N=C7N9[C@]%10(C[C@@](C9)(NC%10)[H])[H])C%11CC%11)C%12=C%13C(=CC(F)=C%12C)NN=C%13

> <molecular.weight>
1117.30

> <density.predicted>
1.551±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.098±0.10    Most Acidic Temp: 25 °C

$$$$
