5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine

C14H10N4O — CID 158881003

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2cc(Oc3cnc4[nH]ccc4c3)cnc2[nH]1
InChIInChI=1S/C14H10N4O/c1-3-15-13-9(1)5-11(7-17-13)19-12-6-10-2-4-16-14(10)18-8-12/h1-8H,(H,15,17)(H,16,18)
InChIKeyJDAGLOLMRLRGIX-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.23
Rot. Bonds2

About 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine

5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158881003) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID158881003
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2cc(Oc3cnc4[nH]ccc4c3)cnc2[nH]1
InChIInChI=1S/C14H10N4O/c1-3-15-13-9(1)5-11(7-17-13)19-12-6-10-2-4-16-14(10)18-8-12/h1-8H,(H,15,17)(H,16,18)
InChIKeyJDAGLOLMRLRGIX-UHFFFAOYSA-N
XLogP3.23
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine (CID 158881003) is 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine is c1cc2cc(Oc3cnc4[nH]ccc4c3)cnc2[nH]1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JDAGLOLMRLRGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-3-15-13-9(1)5-11(7-17-13)19-12-6-10-2-4-16-14(10)18-8-12/h1-8H,(H,15,17)(H,16,18).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine?
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 250.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158881003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).