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

C18H15N3O — CID 59699759

IUPAC3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c3)cc12
InChIInChI=1S/C18H15N3O/c1-22-17-5-3-2-4-14(17)16-11-21-18-15(16)8-13(10-20-18)12-6-7-19-9-12/h2-11,19H,1H3,(H,20,21)
InChIKeyNHFISKXBIVAWPA-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.23
Rot. Bonds3

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

3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59699759) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59699759
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c3)cc12
InChIInChI=1S/C18H15N3O/c1-22-17-5-3-2-4-14(17)16-11-21-18-15(16)8-13(10-20-18)12-6-7-19-9-12/h2-11,19H,1H3,(H,20,21)
InChIKeyNHFISKXBIVAWPA-UHFFFAOYSA-N
XLogP4.23
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 59699759) is 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c3)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NHFISKXBIVAWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-22-17-5-3-2-4-14(17)16-11-21-18-15(16)8-13(10-20-18)12-6-7-19-9-12/h2-11,19H,1H3,(H,20,21).
What are the key properties of 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 289.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59699759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).