methyl 3-(4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)-3-(4-chlorophenyl)propanoate

HCID 57750359

Basic information

Standard SMILES
COC(=O)CC(NC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1
InChIKey
QKRUFDKDKZLNLB-UHFFFAOYSA-N
Molecular formula
C27H33ClN6O5
Average molar mass
557 g/mol

Names & identifiers

Preferred name
methyl 3-(4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)-3-(4-chlorophenyl)propanoate
IUPAC
methyl 3-(4-chlorophenyl)-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoate

Names & synonyms

SCHEMBL390705QKRUFDKDKZLNLB-UHFFFAOYSA-Nmethyl 3-(4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)-3-(4-chlorophenyl)propanoate

Database identifiers

PubChem CID
57750359

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
139 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
39

Related reactions

6 records

Compound notes

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