N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H27N7OS — CID 71006259

IUPACN-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1cnc2ncn(C)c2c1
InChIInChI=1S/C23H27N7OS/c1-6-30-21(15-11-18-20(24-12-15)25-14-29(18)5)27-28-22(30)32-13-19(31)26-17-9-7-16(8-10-17)23(2,3)4/h7-12,14H,6,13H2,1-5H3,(H,26,31)
InChIKeyVFMFRFCBOKYVNA-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.28
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 71006259) has the molecular formula C23H27N7OS and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID71006259
Molecular FormulaC23H27N7OS
Molecular Weight449.58 g/mol
Exact Mass449.20
IUPAC NameN-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1cnc2ncn(C)c2c1
InChIInChI=1S/C23H27N7OS/c1-6-30-21(15-11-18-20(24-12-15)25-14-29(18)5)27-28-22(30)32-13-19(31)26-17-9-7-16(8-10-17)23(2,3)4/h7-12,14H,6,13H2,1-5H3,(H,26,31)
InChIKeyVFMFRFCBOKYVNA-UHFFFAOYSA-N
XLogP4.28
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 3895869
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 3993718
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 29324963
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 17303087
N-(4-ethylphenyl)-2-[[4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 71006126
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 112782777
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 16637118
2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 71005999
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6495917
N-(2-tert-butylphenyl)-2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3279121
2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 19729650
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27339284

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 71006259) is N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1cnc2ncn(C)c2c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is VFMFRFCBOKYVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7OS/c1-6-30-21(15-11-18-20(24-12-15)25-14-29(18)5)27-28-22(30)32-13-19(31)26-17-9-7-16(8-10-17)23(2,3)4/h7-12,14H,6,13H2,1-5H3,(H,26,31).
What are the key properties of N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 449.58 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 71006259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).