tert-butyl N-[2-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

HCID 87320428

Basic information

Standard SMILES: COc1ccc(CN2Cc3c(F)c(NC4CCCCC4NC(=O)OC(C)(C)C)nc(Cl)c3C2=O)c(OC)c1
InChIKey: IKYSCWSCZUEONW-UHFFFAOYSA-N
Molecular formula: C27H34ClFN4O5
Average molar mass: 549 g/mol

Preferred name: tert-butyl N-[2-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate
IUPAC: tert-butyl N-[2-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

SCHEMBL1988051

8 records

HRID 93669As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 115457As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 663160As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 834574As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 937413As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1124324As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1126849As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1142787As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

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Standard SMILES: COc1ccc(CN2Cc3c(F)c(NC4CCCCC4NC(=O)OC(C)(C)C)nc(Cl)c3C2=O)c(OC)c1
InChIKey: IKYSCWSCZUEONW-UHFFFAOYSA-N
Molecular formula: C27H34ClFN4O5
Average molar mass: 549 g/mol

Preferred name: tert-butyl N-[2-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate
IUPAC: tert-butyl N-[2-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

SCHEMBL1988051