tert-butyl (1R,2S,3S,5R)-2-cyano-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexylcarbamate

HCID 86705265
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Basic information

Standard SMILES
C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C#N
InChIKey
QXYWGPMZHNMYOT-VWFBZHOWSA-N
Molecular formula
C30H30F3N5O3
Average molar mass
565.6 g/mol

Names & identifiers

Preferred name
tert-butyl (1R,2S,3S,5R)-2-cyano-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexylcarbamate
IUPAC
tert-butyl N-[(1R,2S,3S,5R)-2-cyano-5-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-methylcyclohexyl]carbamate

Names & synonyms

SCHEMBL15589078QXYWGPMZHNMYOT-VWFBZHOWSA-Ntert-butyl (1R,2S,3S,5R)-2-cyano-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexylcarbamate

Database identifiers

PubChem CID
86705265

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
41

Related reactions

2 records
New reaction record

Compound notes

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