Pemigatinib
11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
Molecular Identity
Pemigatinib
11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
PubChem CID: 86705695
2D Structure
Properties
C24H27F2N5O4
Molecular Formula
487.50
Molecular Weight
g/mol
487.2031
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
83.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
731
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5Isomeric SMILES
SMILES: CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5Synonyms(20)
Pemigatinib1513857-77-6PemazyreINCB054828Fgfr inhibitor INCB054828Y6BX7BL23KINCB-054828DTXSID5010279552H-Pyrrolo(3',2':5,6)pyrido(4,3-d)pyrimidin-2-one, 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-pemigatinibum3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo(4,5)pyrido(1,2-d)pyrimidin-2-one3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo[4,5]pyrido[1,2-d]pyrimidin-2-oneRefChem:58318DTXCID40151352311-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-((morpholin-4-yl)methyl)-5,7,11,13-tetraazatricyclo(7.4.0.0^(2,6))trideca-1,3,6,8-tetraen-12-one
Data from PubChem (NCBI)
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