2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine

C17H24N4O — CID 117160831

IUPAC2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCOCC1)n2CC1CCCNC1
InChIInChI=1S/C17H24N4O/c1-3-13(11-18-7-1)12-21-16(14-5-9-22-10-6-14)20-15-4-2-8-19-17(15)21/h2,4,8,13-14,18H,1,3,5-7,9-12H2
InChIKeyQVCFMMRSFASZOC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.32
Rot. Bonds3

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

2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117160831) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117160831
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCOCC1)n2CC1CCCNC1
InChIInChI=1S/C17H24N4O/c1-3-13(11-18-7-1)12-21-16(14-5-9-22-10-6-14)20-15-4-2-8-19-17(15)21/h2,4,8,13-14,18H,1,3,5-7,9-12H2
InChIKeyQVCFMMRSFASZOC-UHFFFAOYSA-N
XLogP2.32
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
4-[2-(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117160602
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223883
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161910
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117160831) is 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCOCC1)n2CC1CCCNC1.
What is the InChIKey of 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is QVCFMMRSFASZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-13(11-18-7-1)12-21-16(14-5-9-22-10-6-14)20-15-4-2-8-19-17(15)21/h2,4,8,13-14,18H,1,3,5-7,9-12H2.
What are the key properties of 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 300.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).