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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Related Compounds

CID 21976428
CID 21976428
CID 90285039
CID 90285039
CID 117881270
CID 117881270
CID 10471957
CID 10471957
CID 56642660
CID 56642660
CID 135401910
CID 135401910
CID 136160805
CID 136160805
CID 621402
CID 621402
CID 23647541
CID 23647541
CID 71581423
CID 71581423
CID 134611728
CID 134611728
CID 743073
CID 743073

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).