4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol

C18H19N3O2 — CID 117162997

IUPAC4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
SMILESOc1ccc(Cn2c(C3CCCCO3)nc3cccnc32)cc1
InChIInChI=1S/C18H19N3O2/c22-14-8-6-13(7-9-14)12-21-17-15(4-3-10-19-17)20-18(21)16-5-1-2-11-23-16/h3-4,6-10,16,22H,1-2,5,11-12H2
InChIKeyKFXCSTNXQAGOPC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.43
Rot. Bonds3

About 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol

4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol (PubChem CID 117162997) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
PubChem CID117162997
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
SMILESOc1ccc(Cn2c(C3CCCCO3)nc3cccnc32)cc1
InChIInChI=1S/C18H19N3O2/c22-14-8-6-13(7-9-14)12-21-17-15(4-3-10-19-17)20-18(21)16-5-1-2-11-23-16/h3-4,6-10,16,22H,1-2,5,11-12H2
InChIKeyKFXCSTNXQAGOPC-UHFFFAOYSA-N
XLogP3.43
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
3-(furan-2-ylmethyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162710
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 117160437
4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160431
3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162517
3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943
3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162643
3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117163085
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The IUPAC name of 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol (CID 117162997) is 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol is Oc1ccc(Cn2c(C3CCCCO3)nc3cccnc32)cc1.
What is the InChIKey of 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The InChIKey is KFXCSTNXQAGOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-14-8-6-13(7-9-14)12-21-17-15(4-3-10-19-17)20-18(21)16-5-1-2-11-23-16/h3-4,6-10,16,22H,1-2,5,11-12H2.
What are the key properties of 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol has a molecular weight of 309.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol is sourced from PubChem (CID 117162997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).