4-amino-N-(1-(4-chlorophenyl)-3-ureidopropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

HCID 57750368

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: NC(=O)NCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1
InChIKey: PZTGWCXZHVDJMX-UHFFFAOYSA-N
Molecular formula: C22H27ClN8O2
Average molar mass: 471 g/mol

Names & identifiers

Preferred name: 4-amino-N-(1-(4-chlorophenyl)-3-ureidopropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
IUPAC: 4-amino-N-[3-(carbamoylamino)-1-(4-chlorophenyl)propyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Names & synonyms

SCHEMBL391904CHEMBL5804316PZTGWCXZHVDJMX-UHFFFAOYSA-NBDBM256871US9492453, 674-amino-N-(1-(4-chlorophenyl)-3-ureidopropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Database identifiers

PubChem CID: 57750368
ChEMBL: CHEMBL5804316

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 155 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 681

Related reactions

2 records

New reaction record

HRID 423020As productuspto-grants-2012_01

HRID 1565562As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…