Name: 5-[(7S)-2-{[(7aS)-2-methylidene-tetrahydro-1H-pyrrolizin-7a-yl]methoxy}-7-[3-amino-2-fluoro-5-(prop-1-yn-1-yl)-6-(trifluoromethyl)phenyl]-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]-3-chloro-N,N-dimethyl-4H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
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HIT ID:HIT221054997
Cas No:3024878-19-8
常用名:5-[(7S)-2-{[(7aS)-2-methylidene-tetrahydro-1H-pyrrolizin-7a-yl]methoxy}-7-[3-amino-2-fluoro-5-(prop-1-yn-1-yl)-6-(trifluoromethyl)phenyl]-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]-3-chloro-N,N-dimethyl-4H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
常用名:5-[(7S)-2-{[(7aS)-2-methylidene-tetrahydro-1H-pyrrolizin-7a-yl]methoxy}-7-[3-amino-2-fluoro-5-(prop-1-yn-1-yl)-6-(trifluoromethyl)phenyl]-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]-3-chloro-N,N-dimethyl-4H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
IUPAC:5-[(7S)-2-{[(7aS)-2-methylidene-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-7-[3-amino-2-fluoro-5-(prop-1-yn-1-yl)-6-(trifluoromethyl)phenyl]-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]-3-chloro-N,N-dimethyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
IUPAC:5-[(7S)-2-{[(7aS)-2-methylidene-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-7-[3-amino-2-fluoro-5-(prop-1-yn-1-yl)-6-(trifluoromethyl)phenyl]-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-yl]-3-chloro-N,N-dimethyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
InChI key:InChIKey=MQIGGDZYPCCUDF-CYFIQEHSSA-N

分子式:C36H39ClF4N8O3
分子量:743.2
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC#Cc1cc(N)c(F)c([C@@H]2Cc3nc(OC[C@@]45CCCN4CC(=C)C5)nc(N4CCCn5nc(C(=O)N(C)C)c(Cl)c5C4)c3CO2)c1C(F)(F)F
SMILES:CC#Cc1cc(N)c(F)c([C@@H]2Cc3nc(OC[C@@]45CCCN4CC(=C)C5)nc(N4CCCn5nc(C(=O)N(C)C)c(Cl)c5C4)c3CO2)c1C(F)(F)F

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