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

C17H24N4O — CID 117161818

IUPAC2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(c2nc3cccnc3n2CC2CCOC2)C1
InChIInChI=1S/C17H24N4O/c1-20-8-3-4-14(11-20)16-19-15-5-2-7-18-17(15)21(16)10-13-6-9-22-12-13/h2,5,7,13-14H,3-4,6,8-12H2,1H3
InChIKeyXDKJODGITZKMRW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.28
Rot. Bonds3

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

2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161818) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161818
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(c2nc3cccnc3n2CC2CCOC2)C1
InChIInChI=1S/C17H24N4O/c1-20-8-3-4-14(11-20)16-19-15-5-2-7-18-17(15)21(16)10-13-6-9-22-12-13/h2,5,7,13-14H,3-4,6,8-12H2,1H3
InChIKeyXDKJODGITZKMRW-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162140
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164786
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161912
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
bis((E)-but-2-enedioic acid);3-(2-ethoxyethyl)-2-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-b]pyridine
CID 67923199

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117161818) is 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine is CN1CCCC(c2nc3cccnc3n2CC2CCOC2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is XDKJODGITZKMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20-8-3-4-14(11-20)16-19-15-5-2-7-18-17(15)21(16)10-13-6-9-22-12-13/h2,5,7,13-14H,3-4,6,8-12H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 300.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).