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

C17H24N4O — CID 117162925

IUPAC3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCCN1)n2CC1CCCCO1
InChIInChI=1S/C17H24N4O/c1-3-9-18-14(7-1)17-20-15-8-5-10-19-16(15)21(17)12-13-6-2-4-11-22-13/h5,8,10,13-14,18H,1-4,6-7,9,11-12H2
InChIKeyFNMISVAYVMBXIK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.82
Rot. Bonds3

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

3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117162925) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
PubChem CID117162925
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCCN1)n2CC1CCCCO1
InChIInChI=1S/C17H24N4O/c1-3-9-18-14(7-1)17-20-15-8-5-10-19-16(15)21(17)12-13-6-2-4-11-22-13/h5,8,10,13-14,18H,1-4,6-7,9,11-12H2
InChIKeyFNMISVAYVMBXIK-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161927
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
4-[2-(2-pyrrolidin-2-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117162702
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162442
3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117163089
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159634

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine (CID 117162925) is 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCCN1)n2CC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is FNMISVAYVMBXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-9-18-14(7-1)17-20-15-8-5-10-19-16(15)21(17)12-13-6-2-4-11-22-13/h5,8,10,13-14,18H,1-4,6-7,9,11-12H2.
What are the key properties of 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine?
3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 300.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117162925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).