pan-RAF Inhibitor XP-102
N-[3-[5-[(1-ethylpiperidin-4-yl)-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide
Molecular Identity
pan-RAF Inhibitor XP-102
N-[3-[5-[(1-ethylpiperidin-4-yl)-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID: 60152613
2D Structure
Properties
C28H33F2N7O2S
Molecular Formula
569.70
Molecular Weight
g/mol
569.2385
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
913
Complexity
SMILES
Canonical SMILES
SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CC)C5=CN=CN=C5)FIsomeric SMILES
SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CC)C5=CN=CN=C5)FSynonyms(20)
XP-102BI882370pan-RAF Inhibitor XP-102N-(3-(5-((1-ethylpiperidin-4-yl)(methyl)amino)-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl)-2,4-difluorophenyl)propane-1-sulfonamideXP102N-(3-{5-[(1-Ethylpiperidin-4-Yl)(Methyl)amino]-3-(Pyrimidin-5-Yl)-1h-Pyrrolo[3,2-B]pyridin-1-Yl}-2,4-Difluorophenyl)propane-1-SulfonamideN-(3-(5-((1-Ethyl-4-piperidinyl)methylamino)-3-(5-pyrimidinyl)-1H-pyrrolo(3,2-b)pyridin-1-yl)-2,4-difluorophenyl)-1-propanesulfonamideN-[3-[5-[(1-ethyl-4-piperidinyl)methylamino]-3-(5-pyrimidinyl)-1H-pyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]-1-propanesulfonamideN-(3-(5-((1-ethylpiperidin-4-yl)(methyl)amino)-3-(pyrimidin-5-yl)-1H-pyrrolo(3,2-b)pyridin-1-yl)-2,4-difluorophenyl)propane-1-sulfonamideRefChem:2024971392429-79-6BI-882370BI 882370N-[3-[5-[(1-ethylpiperidin-4-yl)-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamideXP 102
Data from PubChem (NCBI)
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