5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C23H17N3O — CID 10247379

IUPAC5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1
InChIInChI=1S/C23H17N3O/c1-2-6-18(7-3-1)27-22-9-5-4-8-19(22)17-12-20-21(16-10-11-24-13-16)15-26-23(20)25-14-17/h1-15,24H,(H,25,26)
InChIKeyQXWDWPMQRFHXIO-UHFFFAOYSA-N
MW351.41 g/mol
LogP6.02
Rot. Bonds4

About 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10247379) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10247379
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1
InChIInChI=1S/C23H17N3O/c1-2-6-18(7-3-1)27-22-9-5-4-8-19(22)17-12-20-21(16-10-11-24-13-16)15-26-23(20)25-14-17/h1-15,24H,(H,25,26)
InChIKeyQXWDWPMQRFHXIO-UHFFFAOYSA-N
XLogP6.02
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 10247379) is 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.
What is the InChIKey of 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QXWDWPMQRFHXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-2-6-18(7-3-1)27-22-9-5-4-8-19(22)17-12-20-21(16-10-11-24-13-16)15-26-23(20)25-14-17/h1-15,24H,(H,25,26).
What are the key properties of 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 351.41 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10247379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).