Futibatinib
1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
Molecular Identity
Futibatinib
1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID: 71621331
2D Structure
Properties
C22H22N6O3
Molecular Formula
418.40
Molecular Weight
g/mol
418.1753
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
723
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)C4CCN(C4)C(=O)C=C)OCIsomeric SMILES
SMILES: COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)[C@H]4CCN(C4)C(=O)C=C)OCSynonyms(20)
Futibatinib1448169-71-8TAS-120Lytgobi4B93MGE4ALTAS 1201-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one2-Propen-1-one, 1-((3S)-3-(4-amino-3-(2-(3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-pyrrolidinyl)-1-((3S)-3-(4-Amino-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-onefutibatinibum1-((3S)-3-(4-amino-3-(2-(3,5-dimethoxyphenyl)ethynyl)pyrazolo(3,4-d)pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-oneRefChem:577401-((3S)-3-(4-amino-3-(2-(3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-oneFgfr-in-1
Data from PubChem (NCBI)
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