3-{[2-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-3-carbonyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester

HCID 66957366
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC(NC(=O)c2ccsc2Nc2ccnc3[nH]ccc23)C1
InChIKey
FPBXCGBKDJUQJT-UHFFFAOYSA-N
Molecular formula
C22H27N5O3S
Average molar mass
441.5 g/mol
Monoisotopic mass
441.18346091

Names & identifiers

Preferred name
3-{[2-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-3-carbonyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 3-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbonyl]amino]piperidine-1-carboxylate

Names & synonyms

SCHEMBL1229591FPBXCGBKDJUQJT-UHFFFAOYSA-N3-{[2-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-3-carbonyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
66957366

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
128 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

Related reactions

1 records
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Compound notes

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