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

C17H24N4O — CID 117161522

IUPAC3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCNCC1)n2C1CCOCC1
InChIInChI=1S/C17H24N4O/c1-2-15-17(19-7-1)21(14-5-10-22-11-6-14)16(20-15)12-13-3-8-18-9-4-13/h1-2,7,13-14,18H,3-6,8-12H2
InChIKeyIUTYQBSTWATCSR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.32
Rot. Bonds3

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

3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161522) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161522
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCNCC1)n2C1CCOCC1
InChIInChI=1S/C17H24N4O/c1-2-15-17(19-7-1)21(14-5-10-22-11-6-14)16(20-15)12-13-3-8-18-9-4-13/h1-2,7,13-14,18H,3-6,8-12H2
InChIKeyIUTYQBSTWATCSR-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

3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161501
3-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159557
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161648

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117161522) is 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCNCC1)n2C1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is IUTYQBSTWATCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-15-17(19-7-1)21(14-5-10-22-11-6-14)16(20-15)12-13-3-8-18-9-4-13/h1-2,7,13-14,18H,3-6,8-12H2.
What are the key properties of 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
3-(oxan-4-yl)-2-(piperidin-4-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 3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).