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(S)-2-(2-([1,1'-biphenyl]-3-yl)-7-((1R,5 S)-8-azabicyclo[3.2.1]octan-8-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetic acid

HCID 89780871
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nc2cc(-c3cccc(-c4ccccc4)c3)nn2c(N2[C@@H]3CCC[C@H]2CC3)c1[C@H](OC(C)(C)C)C(=O)O
InChIKey
YNHGZKGOEAUMSY-FVVBACEJSA-N
Molecular formula
C32H36N4O3
Average molar mass
524.7 g/mol
Monoisotopic mass
524.27874102

Names & identifiers

Preferred name
(S)-2-(2-([1,1'-biphenyl]-3-yl)-7-((1R,5 S)-8-azabicyclo[3.2.1]octan-8-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetic acid
IUPAC
(2S)-2-[7-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-5-methyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Names & synonyms

SCHEMBL15226972YNHGZKGOEAUMSY-FVVBACEJSA-N(S)-2-(2-([1,1'-biphenyl]-3-yl)-7-((1R,5 S)-8-azabicyclo[3.2.1]octan-8-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetic acid

Database identifiers

PubChem CID
89780871

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
80 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
39
Formal charge
0
Complexity
845

Related reactions

1 records
New reaction record
HRID 574350 reaction equation
HRID 574350As productuspto-grants-2015_05

Compound notes

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