3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine

C17H24N4O — CID 117161767

IUPAC3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(C3CCCOC3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4O/c1-2-20-9-7-14(11-20)21-16(13-5-4-10-22-12-13)19-15-6-3-8-18-17(15)21/h3,6,8,13-14H,2,4-5,7,9-12H2,1H3
InChIKeyRWHBAJRMWAXIJR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.59
Rot. Bonds3

About 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine

3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117161767) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117161767
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(C3CCCOC3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4O/c1-2-20-9-7-14(11-20)21-16(13-5-4-10-22-12-13)19-15-6-3-8-18-17(15)21/h3,6,8,13-14H,2,4-5,7,9-12H2,1H3
InChIKeyRWHBAJRMWAXIJR-UHFFFAOYSA-N
XLogP2.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161793
3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162835
3-cyclopropyl-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160562
3-(1-ethylpiperidin-3-yl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162305
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161912
3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 79289515
3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine
CID 117164175
3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162220
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine (CID 117161767) is 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine is CCN1CCC(n2c(C3CCCOC3)nc3cccnc32)C1.
What is the InChIKey of 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is RWHBAJRMWAXIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-20-9-7-14(11-20)21-16(13-5-4-10-22-12-13)19-15-6-3-8-18-17(15)21/h3,6,8,13-14H,2,4-5,7,9-12H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 300.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).