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1-Methyl-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-1H-indol-5-ol

HCID 22477232
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1cc(-c2cc3nccnc3[nH]2)c2cc(O)ccc21
InChIKey
KYWSGFFFDGCSES-UHFFFAOYSA-N
Molecular formula
C15H12N4O
Average molar mass
264.28 g/mol
Monoisotopic mass
264.10111102

Names & identifiers

Preferred name
1-Methyl-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-1H-indol-5-ol
IUPAC
1-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)indol-5-ol

Names & synonyms

SCHEMBL1778813KYWSGFFFDGCSES-UHFFFAOYSA-N1-Methyl-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-1H-indol-5-ol

Database identifiers

PubChem CID
22477232

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
66.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Formal charge
0
Complexity
366

Related reactions

4 records
New reaction record
HRID 549004 reaction equation
HRID 549004As productuspto-grants-2011_05
HRID 1765565 reaction equation
HRID 1765565As productuspto-grants-2007_06
HRID 1835182 reaction equation
HRID 1835182As productuspto-grants-2004_08
HRID 2151388 reaction equation
HRID 2151388As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes