2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine

C20H13N3O — CID 59053780

IUPAC2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine
SMILESc1ccc(-c2cc3nccc(-c4c[nH]c5ncccc45)c3o2)cc1
InChIInChI=1S/C20H13N3O/c1-2-5-13(6-3-1)18-11-17-19(24-18)14(8-10-21-17)16-12-23-20-15(16)7-4-9-22-20/h1-12H,(H,22,23)
InChIKeyIREZXQMARXCQLR-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.04
Rot. Bonds2

About 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine

2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine (PubChem CID 59053780) has the molecular formula C20H13N3O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine
PubChem CID59053780
Molecular FormulaC20H13N3O
Molecular Weight311.34 g/mol
Exact Mass311.11
IUPAC Name2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine
SMILESc1ccc(-c2cc3nccc(-c4c[nH]c5ncccc45)c3o2)cc1
InChIInChI=1S/C20H13N3O/c1-2-5-13(6-3-1)18-11-17-19(24-18)14(8-10-21-17)16-12-23-20-15(16)7-4-9-22-20/h1-12H,(H,22,23)
InChIKeyIREZXQMARXCQLR-UHFFFAOYSA-N
XLogP5.04
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine?
The IUPAC name of 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine (CID 59053780) is 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine?
The canonical SMILES for 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine is c1ccc(-c2cc3nccc(-c4c[nH]c5ncccc45)c3o2)cc1.
What is the InChIKey of 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine?
The InChIKey is IREZXQMARXCQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O/c1-2-5-13(6-3-1)18-11-17-19(24-18)14(8-10-21-17)16-12-23-20-15(16)7-4-9-22-20/h1-12H,(H,22,23).
What are the key properties of 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine?
2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine has a molecular weight of 311.34 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 59053780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).