methyl 4-(piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

HCID 68762011
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Basic information

Standard SMILES
COC(=O)c1cnc2[nH]ccc2c1N1CCNCC1
InChIKey
SBSIPJNQFJSVBJ-UHFFFAOYSA-N
Molecular formula
C13H16N4O2
Average molar mass
260.29 g/mol

Names & identifiers

Preferred name
methyl 4-(piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
IUPAC
methyl 4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

Names & synonyms

SCHEMBL3724642SBSIPJNQFJSVBJ-UHFFFAOYSA-Nmethyl 4-(piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

Database identifiers

PubChem CID
68762011

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
70.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
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Compound notes

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