4-[4-Amino-5-(3-amino-benzoyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-piperidine-1-carboxylic acid tert-butyl ester

HCID 67219743
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)c3cccc(N)c3)c3c(N)ncnc32)CC1
InChIKey
GRFJGJOBYVQAPA-UHFFFAOYSA-N
Molecular formula
C23H28N6O3
Average molar mass
436.5 g/mol

Names & identifiers

Preferred name
4-[4-Amino-5-(3-amino-benzoyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[4-amino-5-(3-aminobenzoyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL1941271GRFJGJOBYVQAPA-UHFFFAOYSA-N4-[4-Amino-5-(3-amino-benzoyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67219743

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
129 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
32

Related reactions

6 records
New reaction record

Linked notes

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