Irpagratinib
N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
Molecular Identity
Irpagratinib
N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
PubChem CID: 135181440
2D Structure
Properties
C28H32F2N6O5
Molecular Formula
570.60
Molecular Weight
g/mol
570.2402
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
12
H-Bond Acceptors
899
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CN(C1)C2=C3C(=CC(=N2)C4=C(C(=CC(=C4F)OC)OC)F)C=NC(=N3)NC5COCCC5NC(=O)C=C)OCIsomeric SMILES
SMILES: CC1(CN(C1)C2=C3C(=CC(=N2)C4=C(C(=CC(=C4F)OC)OC)F)C=NC(=N3)N[C@@H]5COCC[C@@H]5NC(=O)C=C)OCSynonyms(20)
Irpagratinib2230974-62-4ABSK011ABSK-011X46B7JM4A8N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamideN-((3S,4S)-3-((6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)pyrido(3,4-d)pyrimidin-2-yl)amino)oxan-4-yl)prop-2-enamideN-[(3S,4S)-3-{[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino}oxan-4-yl]prop-2-enamideRefChem:1087493N-((3S,4S)-3-((6-(2,6-Difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide2-Propenamide, N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino]tetrahydro-2H-pyran-4-yl]-irpagratinib [INN]IrpagratinibABSK011Irpagratinib [WHO-DD]orb2277624
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Irpagratinib
Loading drug network...