3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

C21H19N3O — CID 58086120

IUPAC3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccccc1Cc1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C21H19N3O/c1-2-25-20-8-4-3-6-15(20)10-18-14-24-21-19(18)11-17(13-23-21)16-7-5-9-22-12-16/h3-9,11-14H,2,10H2,1H3,(H,23,24)
InChIKeyBWCUMJYSAIENEK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.61
Rot. Bonds5

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

3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086120) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086120
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccccc1Cc1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C21H19N3O/c1-2-25-20-8-4-3-6-15(20)10-18-14-24-21-19(18)11-17(13-23-21)16-7-5-9-22-12-16/h3-9,11-14H,2,10H2,1H3,(H,23,24)
InChIKeyBWCUMJYSAIENEK-UHFFFAOYSA-N
XLogP4.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 58086120) is 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is CCOc1ccccc1Cc1c[nH]c2ncc(-c3cccnc3)cc12.
What is the InChIKey of 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BWCUMJYSAIENEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-25-20-8-4-3-6-15(20)10-18-14-24-21-19(18)11-17(13-23-21)16-7-5-9-22-12-16/h3-9,11-14H,2,10H2,1H3,(H,23,24).
What are the key properties of 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).