methyl 1-(5-bromo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(tert-butoxycarbonylamino)piperidine-4-carboxylate

HCID 57750316

Basic information

Standard SMILES
COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3c2c(Br)cn3S(=O)(=O)c2ccc(C)cc2)CC1
InChIKey
CCWMEJGZUPBPJE-UHFFFAOYSA-N
Molecular formula
C25H30BrN5O6S
Average molar mass
608.5 g/mol

Names & identifiers

Preferred name
methyl 1-(5-bromo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(tert-butoxycarbonylamino)piperidine-4-carboxylate
IUPAC
methyl 1-[5-bromo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

Names & synonyms

SCHEMBL391399CCWMEJGZUPBPJE-UHFFFAOYSA-Nmethyl 1-(5-bromo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(tert-butoxycarbonylamino)piperidine-4-carboxylate

Database identifiers

PubChem CID
57750316

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
141 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
38

Related reactions

4 records

Linked notes

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