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

C14H19N3O — CID 117164016

IUPAC3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCn1c(CC2CCCOC2)nc2cccnc21
InChIInChI=1S/C14H19N3O/c1-2-17-13(9-11-5-4-8-18-10-11)16-12-6-3-7-15-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeySFYWHHXQWKMOKB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.42
Rot. Bonds3

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

3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164016) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164016
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCn1c(CC2CCCOC2)nc2cccnc21
InChIInChI=1S/C14H19N3O/c1-2-17-13(9-11-5-4-8-18-10-11)16-12-6-3-7-15-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeySFYWHHXQWKMOKB-UHFFFAOYSA-N
XLogP2.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117164109
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970
2-(oxan-3-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164115
3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161305
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 79294540
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117164016) is 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine is CCn1c(CC2CCCOC2)nc2cccnc21.
What is the InChIKey of 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is SFYWHHXQWKMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17-13(9-11-5-4-8-18-10-11)16-12-6-3-7-15-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine?
3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).