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

C17H24N4O — CID 117160734

IUPAC3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(n2c(C3CCOCC3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4O/c1-20-9-3-4-14(12-20)21-16(13-6-10-22-11-7-13)19-15-5-2-8-18-17(15)21/h2,5,8,13-14H,3-4,6-7,9-12H2,1H3
InChIKeyUAAGDNZCBYVCBU-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.59
Rot. Bonds2

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

3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine (PubChem CID 117160734) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
PubChem CID117160734
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(n2c(C3CCOCC3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4O/c1-20-9-3-4-14(12-20)21-16(13-6-10-22-11-7-13)19-15-5-2-8-18-17(15)21/h2,5,8,13-14H,3-4,6-7,9-12H2,1H3
InChIKeyUAAGDNZCBYVCBU-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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Related Compounds

3-cyclopropyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160990
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
3-cyclopropyl-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160562
3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161793
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117164272
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
2-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117159854
2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117160752

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine (CID 117160734) is 3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine is CN1CCCC(n2c(C3CCOCC3)nc3cccnc32)C1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is UAAGDNZCBYVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20-9-3-4-14(12-20)21-16(13-6-10-22-11-7-13)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-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine?
3-(1-methylpiperidin-3-yl)-2-(oxan-4-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-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).