Unii-M8R6eta52F
N-[4-(3-chloro-4-fluoroanilino)-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy]quinazolin-6-yl]prop-2-enamide
Molecular Identity
Unii-M8R6eta52F
N-[4-(3-chloro-4-fluoroanilino)-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy]quinazolin-6-yl]prop-2-enamide
PubChem CID: 56933206
2D Structure
Properties
C27H29ClFN5O2
Molecular Formula
510.00
Molecular Weight
g/mol
509.1994
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
79.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
773
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)C=CIsomeric SMILES
SMILES: CN1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)C=CSynonyms(20)
UNII-M8R6ETA52F1363358-86-4pirotinibM8R6ETA52FN-[4-(3-chloro-4-fluoroanilino)-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy]quinazolin-6-yl]prop-2-enamide2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-((7-methyl-7-azaspiro(3.5)non-2-yl)methoxy)-6-quinazolinyl)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy)quinazolin-6-yl)acrylamideN-(4-(3-Chloro-4-fluorophenylamino)-7-((7-methyl-7-azaspiro(3.5)nonan-2-yl)methoxy)quinazolin-6-yl)acrylamidePirotinib [WHO-DD]Kbp-5209orb2815307CHEMBL5816376SCHEMBL15090523GTPL12612KBP5209
Data from PubChem (NCBI)
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