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

C16H21N3OS — CID 117161501

IUPAC3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCSCC1)n2C1CCOC1
InChIInChI=1S/C16H21N3OS/c1-2-14-16(17-6-1)19(13-3-7-20-11-13)15(18-14)10-12-4-8-21-9-5-12/h1-2,6,12-13H,3-5,7-11H2
InChIKeyIULTWNCNSWVSII-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.08
Rot. Bonds3

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

3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161501) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161501
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCSCC1)n2C1CCOC1
InChIInChI=1S/C16H21N3OS/c1-2-14-16(17-6-1)19(13-3-7-20-11-13)15(18-14)10-12-4-8-21-9-5-12/h1-2,6,12-13H,3-5,7-11H2
InChIKeyIULTWNCNSWVSII-UHFFFAOYSA-N
XLogP3.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522
2-[(2-fluorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165182
2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165183
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 79294540
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161736
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117161501) is 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCSCC1)n2C1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is IULTWNCNSWVSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-14-16(17-6-1)19(13-3-7-20-11-13)15(18-14)10-12-4-8-21-9-5-12/h1-2,6,12-13H,3-5,7-11H2.
What are the key properties of 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 303.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).