3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide

HCID 66958013
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Basic information

Standard SMILES
O=C(NCC1CCCO1)c1sccc1Nc1ccnc2[nH]ccc12
InChIKey
YNRDRMYCTIJIIP-UHFFFAOYSA-N
Molecular formula
C17H18N4O2S
Average molar mass
342.4 g/mol
Monoisotopic mass
342.115047

Names & identifiers

Preferred name
3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
IUPAC
N-(oxolan-2-ylmethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide

Names & synonyms

SCHEMBL1231355YNRDRMYCTIJIIP-UHFFFAOYSA-N3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide

Database identifiers

PubChem CID
66958013

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
107 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

Related reactions

1 records
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Compound notes

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