2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide

C22H26N4OS — CID 46344109

IUPAC2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1
InChIInChI=1S/C22H26N4OS/c1-16-9-11-17(12-10-16)24-21(27)15-28-14-20-25-19-8-5-13-23-22(19)26(20)18-6-3-2-4-7-18/h5,8-13,18H,2-4,6-7,14-15H2,1H3,(H,24,27)
InChIKeyYODGVGSXNZTRMD-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.12
Rot. Bonds6

About 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide

2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 46344109) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID46344109
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1
InChIInChI=1S/C22H26N4OS/c1-16-9-11-17(12-10-16)24-21(27)15-28-14-20-25-19-8-5-13-23-22(19)26(20)18-6-3-2-4-7-18/h5,8-13,18H,2-4,6-7,14-15H2,1H3,(H,24,27)
InChIKeyYODGVGSXNZTRMD-UHFFFAOYSA-N
XLogP5.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide (CID 46344109) is 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1.
What is the InChIKey of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is YODGVGSXNZTRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-16-9-11-17(12-10-16)24-21(27)15-28-14-20-25-19-8-5-13-23-22(19)26(20)18-6-3-2-4-7-18/h5,8-13,18H,2-4,6-7,14-15H2,1H3,(H,24,27).
What are the key properties of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 394.54 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 46344109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).