Glecirasib
7-(2-amino-3,4,5,6-tetrafluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
Molecular Identity
Glecirasib
7-(2-amino-3,4,5,6-tetrafluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
PubChem CID: 157827766
2D Structure
Properties
C31H26ClF4N7O2
Molecular Formula
640.00
Molecular Weight
g/mol
639.1773
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
119
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
1240
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)C=C)Cl)C5=C(C(=C(C(=C5F)F)F)F)NIsomeric SMILES
SMILES: CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)C=C)Cl)C5=C(C(=C(C(=C5F)F)F)F)NSynonyms(20)
GlecirasibUP75WH4QKMRefChem:10858112657613-87-9KRAS G12C inhibitor 36JAB-21822KRAS G12C inhibitor 622658588-10-27-(2-amino-3,4,5,6-tetrafluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrileErica (China)glecirasib [INN]Glecirasib [WHO-DD]orb1944488orb2279110CHEMBL5314518
Data from PubChem (NCBI)
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