4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide

C23H22N4O2S — CID 90368139

IUPAC4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C23H22N4O2S/c28-30-14-12-27(13-15-30)21-11-10-20-23(25-21)26-22(24-20)18-6-8-19(9-7-18)29-16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,24,25,26)
InChIKeyKWLQPUXARLCNIM-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.77
Rot. Bonds5

About 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide

4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide (PubChem CID 90368139) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide
PubChem CID90368139
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C23H22N4O2S/c28-30-14-12-27(13-15-30)21-11-10-20-23(25-21)26-22(24-20)18-6-8-19(9-7-18)29-16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,24,25,26)
InChIKeyKWLQPUXARLCNIM-UHFFFAOYSA-N
XLogP3.77
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90357310
5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90368196
5-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90368194
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde
CID 159774484
tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
CID 122451438
4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 67791490
tert-butyl 3-[2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidine-1-carboxylate;methane;2-[4-(phenoxymethyl)phenyl]-5-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 157166783
2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine
CID 59243231
5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole
CID 110535345
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide (CID 90368139) is 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide is O=S1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.
What is the InChIKey of 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide?
The InChIKey is KWLQPUXARLCNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-30-14-12-27(13-15-30)21-11-10-20-23(25-21)26-22(24-20)18-6-8-19(9-7-18)29-16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,24,25,26).
What are the key properties of 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide?
4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide has a molecular weight of 418.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 90368139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).