3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine

C17H18N4O — CID 117162657

IUPAC3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(C3CCCN3)nc3cccnc32)cc1
InChIInChI=1S/C17H18N4O/c1-22-13-8-6-12(7-9-13)21-16-15(5-3-11-19-16)20-17(21)14-4-2-10-18-14/h3,5-9,11,14,18H,2,4,10H2,1H3
InChIKeyWGYAXTGMWHYUAE-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.85
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine

3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117162657) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
PubChem CID117162657
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(C3CCCN3)nc3cccnc32)cc1
InChIInChI=1S/C17H18N4O/c1-22-13-8-6-12(7-9-13)21-16-15(5-3-11-19-16)20-17(21)14-4-2-10-18-14/h3,5-9,11,14,18H,2,4,10H2,1H3
InChIKeyWGYAXTGMWHYUAE-UHFFFAOYSA-N
XLogP2.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine (CID 117162657) is 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine is COc1ccc(-n2c(C3CCCN3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is WGYAXTGMWHYUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-13-8-6-12(7-9-13)21-16-15(5-3-11-19-16)20-17(21)14-4-2-10-18-14/h3,5-9,11,14,18H,2,4,10H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 294.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117162657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).