5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine

C22H23N3O2S — CID 18357125

IUPAC5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine
SMILESCOc1ccc(CSc2ccc(OC3CCN(c4ccncc4)C3)nc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-26-19-4-2-17(3-5-19)16-28-21-6-7-22(24-14-21)27-20-10-13-25(15-20)18-8-11-23-12-9-18/h2-9,11-12,14,20H,10,13,15-16H2,1H3
InChIKeyVRYIPMOOHKDMFG-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.44
Rot. Bonds7

About 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine

5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine (PubChem CID 18357125) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine
PubChem CID18357125
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine
SMILESCOc1ccc(CSc2ccc(OC3CCN(c4ccncc4)C3)nc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-26-19-4-2-17(3-5-19)16-28-21-6-7-22(24-14-21)27-20-10-13-25(15-20)18-8-11-23-12-9-18/h2-9,11-12,14,20H,10,13,15-16H2,1H3
InChIKeyVRYIPMOOHKDMFG-UHFFFAOYSA-N
XLogP4.44
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
4-[3-(3-methyl-4-methylsulfanylphenoxy)pyrrolidin-1-yl]pyridine
CID 18357117
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498
[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
CID 175134378
3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
CID 20701175
4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
CID 18357038
2-cyclohexyloxy-5-methoxypyridine
CID 170010378
N-[(6-methoxy-4-methyl-3-pyridinyl)methyl]-N-methyl-1-pyridin-4-ylpyrrolidin-3-amine
CID 167815603
(Z)-2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 168898446
2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 174076896
1-methyl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)imidazo[4,5-c]pyridine
CID 155953414
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine?
The IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine (CID 18357125) is 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine?
The canonical SMILES for 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine is COc1ccc(CSc2ccc(OC3CCN(c4ccncc4)C3)nc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine?
The InChIKey is VRYIPMOOHKDMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-26-19-4-2-17(3-5-19)16-28-21-6-7-22(24-14-21)27-20-10-13-25(15-20)18-8-11-23-12-9-18/h2-9,11-12,14,20H,10,13,15-16H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine?
5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine has a molecular weight of 393.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylsulfanyl]-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine is sourced from PubChem (CID 18357125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).