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

C17H23N3OS — CID 117162932

IUPAC2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCCO1)n2CC1CCCSC1
InChIInChI=1S/C17H23N3OS/c1-2-9-21-15(7-1)17-19-14-6-3-8-18-16(14)20(17)11-13-5-4-10-22-12-13/h3,6,8,13,15H,1-2,4-5,7,9-12H2
InChIKeyDEDSYYVMBYLCDA-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.82
Rot. Bonds3

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

2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117162932) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117162932
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCCO1)n2CC1CCCSC1
InChIInChI=1S/C17H23N3OS/c1-2-9-21-15(7-1)17-19-14-6-3-8-18-16(14)20(17)11-13-5-4-10-22-12-13/h3,6,8,13,15H,1-2,4-5,7,9-12H2
InChIKeyDEDSYYVMBYLCDA-UHFFFAOYSA-N
XLogP3.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437
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-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
3-(furan-2-ylmethyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162710
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117162932) is 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCCO1)n2CC1CCCSC1.
What is the InChIKey of 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is DEDSYYVMBYLCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-9-21-15(7-1)17-19-14-6-3-8-18-16(14)20(17)11-13-5-4-10-22-12-13/h3,6,8,13,15H,1-2,4-5,7,9-12H2.
What are the key properties of 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 317.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).