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

HCID 57750287

Basic information

Standard SMILES
COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3c2c(C2CC2)cn3S(=O)(=O)c2ccc(C)cc2)CC1
InChIKey
BLYZOWYOINDNJQ-UHFFFAOYSA-N
Molecular formula
C28H35N5O6S
Average molar mass
569.7 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL393494BLYZOWYOINDNJQ-UHFFFAOYSA-Nmethyl 4-(tert-butoxycarbonylamino)-1-(5-cyclopropyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Database identifiers

PubChem CID
57750287

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
141 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
40

Related reactions

3 records

Compound notes

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