4H-Pyrazolo[1,5-a][1,4]diazepine-2-carboxamide, 5-[(7S)-7-[3-amino-2-fluoro-5...
C36H39ClF4N8O3
3024878-19-8 Copyright (C) 2026 ACS
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M  END
> <cas.rn>
3024878-19-8

> <ca.index.name>
4H-Pyrazolo[1,5-a][1,4]diazepine-2-carboxamide, 5-[(7S)-7-[3-amino-2-fluoro-5-(1-propyn-1-yl)-6-(trifluoromethyl)phenyl]-7,8-dihydro-2-[[(7aS)-tetrahydro-2-methylene-1H-pyrrolizin-7a(5H)-yl]methoxy]-5H-pyrano[4,3-d]pyrimidin-4-yl]-3-chloro-5,6,7,8-tetrahydro-N,N-dimethyl-

> <molecular.formula>
C36H39ClF4N8O3

> <smiles.canonical>
O=C(C1=NN2C(=C1Cl)CN(C3=NC(=NC4=C3COC(C5=C(F)C(N)=CC(C#CC)=C5C(F)(F)F)C4)OCC67N(CC(=C)C6)CCC7)CCC2)N(C)C

> <smiles.isomeric>
C(OC1=NC(=C2C(=N1)C[C@H](OC2)C3=C(C(F)(F)F)C(C#CC)=CC(N)=C3F)N4CC=5N(CCC4)N=C(C(N(C)C)=O)C5Cl)[C@@]67N(CC(=C)C6)CCC7

> <molecular.weight>
743.19

> <boiling.point.predicted>
877.126±75.00 °C    Press: 760.00 Torr

> <density.predicted>
1.477±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.321±0.40    Most Basic Temp: 25 °C

$$$$
