tert-butyl N-[(1R,3S)-3-[[5-fluoro-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl]carbamate

HCID 124164059
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CCCCC4)c(F)cn2)C1
InChIKey
GHXKLDKCHGXLHR-DLBZAZTESA-N
Molecular formula
C25H34FN5O3
Average molar mass
471.6 g/mol

Names & identifiers

Preferred name
tert-butyl N-[(1R,3S)-3-[[5-fluoro-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl]carbamate
IUPAC
tert-butyl N-[(1R,3S)-3-[[5-fluoro-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl]carbamate

Names & synonyms

SCHEMBL18349388

Database identifiers

PubChem CID
124164059

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
98.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
34

Related reactions

1 records
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Linked notes

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