2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide

C21H24N4OS — CID 3214164

IUPAC2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESO=C(CSc1nc2cccnc2n1Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C21H24N4OS/c26-19(23-17-10-5-2-6-11-17)15-27-21-24-18-12-7-13-22-20(18)25(21)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H,23,26)
InChIKeyRZSOWRAXDVONRQ-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide

2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide (PubChem CID 3214164) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide
PubChem CID3214164
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESO=C(CSc1nc2cccnc2n1Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C21H24N4OS/c26-19(23-17-10-5-2-6-11-17)15-27-21-24-18-12-7-13-22-20(18)25(21)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H,23,26)
InChIKeyRZSOWRAXDVONRQ-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide (CID 3214164) is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide is O=C(CSc1nc2cccnc2n1Cc1ccccc1)NC1CCCCC1.
What is the InChIKey of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is RZSOWRAXDVONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c26-19(23-17-10-5-2-6-11-17)15-27-21-24-18-12-7-13-22-20(18)25(21)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H,23,26).
What are the key properties of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide?
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 380.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 3214164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).