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

C18H26N4O — CID 117161542

IUPAC3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCNCC1)n2CC1CCOCC1
InChIInChI=1S/C18H26N4O/c1-2-16-18(20-7-1)22(13-15-5-10-23-11-6-15)17(21-16)12-14-3-8-19-9-4-14/h1-2,7,14-15,19H,3-6,8-13H2
InChIKeyNZVVXCXJSYCYGZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds4

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

3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161542) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161542
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCNCC1)n2CC1CCOCC1
InChIInChI=1S/C18H26N4O/c1-2-16-18(20-7-1)22(13-15-5-10-23-11-6-15)17(21-16)12-14-3-8-19-9-4-14/h1-2,7,14-15,19H,3-6,8-13H2
InChIKeyNZVVXCXJSYCYGZ-UHFFFAOYSA-N
XLogP2.40
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522
3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161648
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117161542) is 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCNCC1)n2CC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is NZVVXCXJSYCYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-16-18(20-7-1)22(13-15-5-10-23-11-6-15)17(21-16)12-14-3-8-19-9-4-14/h1-2,7,14-15,19H,3-6,8-13H2.
What are the key properties of 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 314.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).