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

C17H24N4O — CID 117161793

IUPAC3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESCN1CCC(n2c(C3CCCOC3)nc3cccnc32)CC1
InChIInChI=1S/C17H24N4O/c1-20-9-6-14(7-10-20)21-16(13-4-3-11-22-12-13)19-15-5-2-8-18-17(15)21/h2,5,8,13-14H,3-4,6-7,9-12H2,1H3
InChIKeyASBGJHITTQSEFK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.59
Rot. Bonds2

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

3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117161793) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117161793
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESCN1CCC(n2c(C3CCCOC3)nc3cccnc32)CC1
InChIInChI=1S/C17H24N4O/c1-20-9-6-14(7-10-20)21-16(13-4-3-11-22-12-13)19-15-5-2-8-18-17(15)21/h2,5,8,13-14H,3-4,6-7,9-12H2,1H3
InChIKeyASBGJHITTQSEFK-UHFFFAOYSA-N
XLogP2.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine (CID 117161793) is 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine is CN1CCC(n2c(C3CCCOC3)nc3cccnc32)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is ASBGJHITTQSEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20-9-6-14(7-10-20)21-16(13-4-3-11-22-12-13)19-15-5-2-8-18-17(15)21/h2,5,8,13-14H,3-4,6-7,9-12H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 300.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).