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

C16H22N4O — CID 117161910

IUPAC2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCOC1)n2CC1CCCN1
InChIInChI=1S/C16H22N4O/c1-5-13(17-7-1)10-20-15(12-4-3-9-21-11-12)19-14-6-2-8-18-16(14)20/h2,6,8,12-13,17H,1,3-5,7,9-11H2
InChIKeyLCXGDFZGNLVGKC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.08
Rot. Bonds3

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

2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161910) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161910
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCOC1)n2CC1CCCN1
InChIInChI=1S/C16H22N4O/c1-5-13(17-7-1)10-20-15(12-4-3-9-21-11-12)19-14-6-2-8-18-16(14)20/h2,6,8,12-13,17H,1,3-5,7,9-11H2
InChIKeyLCXGDFZGNLVGKC-UHFFFAOYSA-N
XLogP2.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161927
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161912
2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166413
2-(5-chlorofuran-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164355
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831
3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161793
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
3-(5-chlorofuran-2-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161953
2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164361

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117161910) is 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCOC1)n2CC1CCCN1.
What is the InChIKey of 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is LCXGDFZGNLVGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-13(17-7-1)10-20-15(12-4-3-9-21-11-12)19-14-6-2-8-18-16(14)20/h2,6,8,12-13,17H,1,3-5,7,9-11H2.
What are the key properties of 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 286.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).