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

C22H26N4O2S — CID 3691378

IUPAC2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C22H26N4O2S/c1-15-10-11-19(28-2)18(13-15)24-20(27)14-29-22-25-17-9-6-12-23-21(17)26(22)16-7-4-3-5-8-16/h6,9-13,16H,3-5,7-8,14H2,1-2H3,(H,24,27)
InChIKeyMLCPHXCXBAZJPC-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.98
Rot. Bonds6

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

2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 3691378) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID3691378
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C22H26N4O2S/c1-15-10-11-19(28-2)18(13-15)24-20(27)14-29-22-25-17-9-6-12-23-21(17)26(22)16-7-4-3-5-8-16/h6,9-13,16H,3-5,7-8,14H2,1-2H3,(H,24,27)
InChIKeyMLCPHXCXBAZJPC-UHFFFAOYSA-N
XLogP4.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 3691378) is 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSc1nc2cccnc2n1C1CCCCC1.
What is the InChIKey of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is MLCPHXCXBAZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-10-11-19(28-2)18(13-15)24-20(27)14-29-22-25-17-9-6-12-23-21(17)26(22)16-7-4-3-5-8-16/h6,9-13,16H,3-5,7-8,14H2,1-2H3,(H,24,27).
What are the key properties of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 3691378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).