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3-[2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

HCID 11616416
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
c1ccc(-c2nn3c(c2-c2c[nH]c4ncccc24)CCC3)nc1
InChIKey
VRHIIDKZKKRZOU-UHFFFAOYSA-N
Molecular formula
C18H15N5
Average molar mass
301.3 g/mol

Names & identifiers

Preferred name
3-[2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
IUPAC
3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine

Names & synonyms

SCHEMBL3941694VRHIIDKZKKRZOU-UHFFFAOYSA-N3-[2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

Database identifiers

PubChem CID
11616416

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Formal charge
0
Complexity
430

Related reactions

2 records
New reaction record
HRID 824796 reaction equation
HRID 824796As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1787583 reaction equation
HRID 1787583As productuspto-grants-2009_03

Compound notes

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