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

C18H25N3S — CID 117164104

IUPAC3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCCC1
InChIInChI=1S/C18H25N3S/c1-2-7-15(8-3-1)21-17(12-14-6-5-11-22-13-14)20-16-9-4-10-19-18(16)21/h4,9-10,14-15H,1-3,5-8,11-13H2
InChIKeyPBRBBIOBHZAQPY-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.62
Rot. Bonds3

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

3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164104) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164104
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCCC1
InChIInChI=1S/C18H25N3S/c1-2-7-15(8-3-1)21-17(12-14-6-5-11-22-13-14)20-16-9-4-10-19-18(16)21/h4,9-10,14-15H,1-3,5-8,11-13H2
InChIKeyPBRBBIOBHZAQPY-UHFFFAOYSA-N
XLogP4.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
3-pyrrolidin-2-yl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163944
2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117165693
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161501
3-(3-methoxypropyl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163856

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117164104) is 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is PBRBBIOBHZAQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-2-7-15(8-3-1)21-17(12-14-6-5-11-22-13-14)20-16-9-4-10-19-18(16)21/h4,9-10,14-15H,1-3,5-8,11-13H2.
What are the key properties of 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 315.49 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).