Pralsetinib
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
Molecular Identity
Pralsetinib
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
PubChem CID: 129073603
2D Structure
Properties
C27H32FN9O2
Molecular Formula
533.60
Molecular Weight
g/mol
533.2663
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
136
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
816
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)NC(C)C4=CN=C(C=C4)N5C=C(C=N5)F)OCIsomeric SMILES
SMILES: CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)N[C@@H](C)C4=CN=C(C=C4)N5C=C(C=N5)F)OCSynonyms(20)
Pralsetinib2097132-94-8BLU-667Blu667trans-Pralsetinib2097132-93-7Gavretocis-PralsetinibPralsetinib free basePralsetinib, cis-Pralsetinib [INN]Pralsetinib [USAN]BLU1232441WPE73O1WVN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
Data from PubChem (NCBI)
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