Garsorasib
7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
Molecular Identity
Garsorasib
7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
PubChem CID: 155332312
2D Structure
Properties
C32H32F2N8O2
Molecular Formula
598.60
Molecular Weight
g/mol
598.2616
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(C(CN1C(=O)C=C)C)C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)N)C5=C(N=CN=C5C6CC6)C7CC7Isomeric SMILES
SMILES: C[C@@H]1CN([C@H](CN1C(=O)C=C)C)C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)N)C5=C(N=CN=C5C6CC6)C7CC7Synonyms(20)
Garsorasib2559761-14-5Garsorasib [INN]P491NE9G6ZD-15534-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-6-fluoropyrido(2,3-d)pyrimidin-2(1H)-onePyrido(2,3-d)pyrimidin-2(1H)-one, 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-5-pyrimidinyl)-4-((2S,5R)-2,5-dimethyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl)-6-fluoro-D1553D 15534-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-6-fluoropyrido[2,3-d]pyrimidin-2(1H)-oneRefChem:142704KRAS G12C Inhibitor D-15537-(2-Amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-oneUNII-P491NE9G6Z7-(2-Amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-5-pyrimidinyl)-4-[(2S,5R)-2,5-dimethyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-6-fluoropyrido[2,3-d]pyrimidin-2(1H)-one
Data from PubChem (NCBI)
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