3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine

C16H14ClN3O — CID 117162643

IUPAC3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
SMILESClc1ccc(-n2c(C3CCCO3)nc3cccnc32)cc1
InChIInChI=1S/C16H14ClN3O/c17-11-5-7-12(8-6-11)20-15-13(3-1-9-18-15)19-16(20)14-4-2-10-21-14/h1,3,5-9,14H,2,4,10H2
InChIKeyQOHKSIOBIUPMLB-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.93
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine

3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162643) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162643
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
SMILESClc1ccc(-n2c(C3CCCO3)nc3cccnc32)cc1
InChIInChI=1S/C16H14ClN3O/c17-11-5-7-12(8-6-11)20-15-13(3-1-9-18-15)19-16(20)14-4-2-10-21-14/h1,3,5-9,14H,2,4,10H2
InChIKeyQOHKSIOBIUPMLB-UHFFFAOYSA-N
XLogP3.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117163085
3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117162997
3-(furan-2-ylmethyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162710
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162517
3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160489
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162835

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine (CID 117162643) is 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine is Clc1ccc(-n2c(C3CCCO3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is QOHKSIOBIUPMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-11-5-7-12(8-6-11)20-15-13(3-1-9-18-15)19-16(20)14-4-2-10-21-14/h1,3,5-9,14H,2,4,10H2.
What are the key properties of 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 299.76 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).