2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine

C23H20N6OS — CID 166223388

IUPAC2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCCOc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2ccccn2)cc1
InChIInChI=1S/C23H20N6OS/c1-2-30-19-11-9-18(10-12-19)29-22(20-7-3-5-13-24-20)26-27-23(29)31-16-17-15-28-14-6-4-8-21(28)25-17/h3-15H,2,16H2,1H3
InChIKeyUZWLBPRQXRYNBF-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.67
Rot. Bonds7

About 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine

2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 166223388) has the molecular formula C23H20N6OS and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID166223388
Molecular FormulaC23H20N6OS
Molecular Weight428.52 g/mol
Exact Mass428.14
IUPAC Name2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCCOc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2ccccn2)cc1
InChIInChI=1S/C23H20N6OS/c1-2-30-19-11-9-18(10-12-19)29-22(20-7-3-5-13-24-20)26-27-23(29)31-16-17-15-28-14-6-4-8-21(28)25-17/h3-15H,2,16H2,1H3
InChIKeyUZWLBPRQXRYNBF-UHFFFAOYSA-N
XLogP4.67
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 112775135
2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 112782834
2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 112782426
2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19732600
2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 21165389
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814
2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 7249950
4-[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
CID 4014314
2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 1456142
N-[(2S)-butan-2-yl]-2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1456344
(1R)-1-[4-(4-chlorophenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-dimethylethanamine
CID 25352259
2-[[4-(4-ethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43813064

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine (CID 166223388) is 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine is CCOc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2ccccn2)cc1.
What is the InChIKey of 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is UZWLBPRQXRYNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6OS/c1-2-30-19-11-9-18(10-12-19)29-22(20-7-3-5-13-24-20)26-27-23(29)31-16-17-15-28-14-6-4-8-21(28)25-17/h3-15H,2,16H2,1H3.
What are the key properties of 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 428.52 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 166223388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).