tert-butyl ((1R,2R,3S,5R)-2-amino-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexyl)carbamate

HCID 86705240

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]1N
InChIKey
WIZPNRPXAIHHAG-BATZWCAYSA-N
Molecular formula
C29H32F3N5O3
Average molar mass
555.6 g/mol
Monoisotopic mass
555.24572439

Names & identifiers

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

Names & synonyms

SCHEMBL15588812WIZPNRPXAIHHAG-BATZWCAYSA-N(+/-)-tert-butyl ((1R,2R,3S,5R)-2-amino-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexyl)carbamate(+/-)-tert-butyl (1R,2R,3S,5R)-2-amino-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexylcarbamatetert-butyl ((1R,2R,3S,5R)-2-amino-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexyl)carbamate

Database identifiers

PubChem CID
86705240

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
40

Related reactions

6 records

Compound notes

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