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

C23H28N4OS — CID 46360261

IUPAC2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSCc1nc2cccnc2n1C1CCCCC1)NCCc1ccccc1
InChIInChI=1S/C23H28N4OS/c28-22(24-15-13-18-8-3-1-4-9-18)17-29-16-21-26-20-12-7-14-25-23(20)27(21)19-10-5-2-6-11-19/h1,3-4,7-9,12,14,19H,2,5-6,10-11,13,15-17H2,(H,24,28)
InChIKeyURCGTAWCDSVXRM-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.53
Rot. Bonds8

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

2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 46360261) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID46360261
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSCc1nc2cccnc2n1C1CCCCC1)NCCc1ccccc1
InChIInChI=1S/C23H28N4OS/c28-22(24-15-13-18-8-3-1-4-9-18)17-29-16-21-26-20-12-7-14-25-23(20)27(21)19-10-5-2-6-11-19/h1,3-4,7-9,12,14,19H,2,5-6,10-11,13,15-17H2,(H,24,28)
InChIKeyURCGTAWCDSVXRM-UHFFFAOYSA-N
XLogP4.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
CID 46331527
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide
CID 46360260
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 22582732
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46344109
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
CID 46331496
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
CID 50788040
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 3214157

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 46360261) is 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide is O=C(CSCc1nc2cccnc2n1C1CCCCC1)NCCc1ccccc1.
What is the InChIKey of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is URCGTAWCDSVXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c28-22(24-15-13-18-8-3-1-4-9-18)17-29-16-21-26-20-12-7-14-25-23(20)27(21)19-10-5-2-6-11-19/h1,3-4,7-9,12,14,19H,2,5-6,10-11,13,15-17H2,(H,24,28).
What are the key properties of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 408.57 g/mol, XLogP of 4.53, 8 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 46360261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).