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

C17H17N3OS — CID 117160431

IUPAC4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
SMILESOc1ccc(Cn2c(C3CCSC3)nc3cccnc32)cc1
InChIInChI=1S/C17H17N3OS/c21-14-5-3-12(4-6-14)10-20-16(13-7-9-22-11-13)19-15-2-1-8-18-17(15)20/h1-6,8,13,21H,7,9-11H2
InChIKeyKQDZNZYPWPGZLF-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.41
Rot. Bonds3

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

4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol (PubChem CID 117160431) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
PubChem CID117160431
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
SMILESOc1ccc(Cn2c(C3CCSC3)nc3cccnc32)cc1
InChIInChI=1S/C17H17N3OS/c21-14-5-3-12(4-6-14)10-20-16(13-7-9-22-11-13)19-15-2-1-8-18-17(15)20/h1-6,8,13,21H,7,9-11H2
InChIKeyKQDZNZYPWPGZLF-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol with MolForge

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Related Compounds

3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117160041
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 117160437
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117162997
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160375
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160406
4-[[2-(2-hydroxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117159969
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The IUPAC name of 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol (CID 117160431) is 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol is Oc1ccc(Cn2c(C3CCSC3)nc3cccnc32)cc1.
What is the InChIKey of 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The InChIKey is KQDZNZYPWPGZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-14-5-3-12(4-6-14)10-20-16(13-7-9-22-11-13)19-15-2-1-8-18-17(15)20/h1-6,8,13,21H,7,9-11H2.
What are the key properties of 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol has a molecular weight of 311.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol is sourced from PubChem (CID 117160431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).