tert-butyl 4-(1-(4-chlorophenyl)-3-(dimethylamino)-3-oxopropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

HCID 57750350

Basic information

Standard SMILES
CN(C)C(=O)CC(NC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1
InChIKey
KIYQPDXEAGBJLC-UHFFFAOYSA-N
Molecular formula
C28H36ClN7O4
Average molar mass
570.1 g/mol

Names & identifiers

Preferred name
tert-butyl 4-(1-(4-chlorophenyl)-3-(dimethylamino)-3-oxopropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[1-(4-chlorophenyl)-3-(dimethylamino)-3-oxopropyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

Names & synonyms

SCHEMBL387986KIYQPDXEAGBJLC-UHFFFAOYSA-Ntert-butyl 4-(1-(4-chlorophenyl)-3-(dimethylamino)-3-oxopropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Database identifiers

PubChem CID
57750350

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
133 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
40

Related reactions

3 records

Compound notes

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