2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine

C136H144N20O14S2 — CID 159387559

About 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine

2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine (PubChem CID 159387559) has the molecular formula C136H144N20O14S2 and a molecular weight of 2346.91 g/mol. Its IUPAC name is 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

• Compound Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine
• PubChem CID: 159387559
• Molecular Formula: C136H144N20O14S2
• Molecular Weight: 2346.91 g/mol
• Exact Mass: 2345.06
• IUPAC Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine
• SMILES: CS(=O)(=O)c1ccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2)cc1.Cn1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCC4)cn2)cn1.Cn1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCC4)cn2)cn1.c1cnn(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)c1.c1cnn(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2)c1
• InChI: InChI=1S/2C25H26N2O4S.2C22H24N4O.2C21H22N4O2/c2*1-32(28,29)22-9-5-18(6-10-22)20-4-8-21(26-16-20)17-27-12-2-3-23(27)19-7-11-24-25(15-19)31-14-13-30-24;2*1-25-15-19(13-24-25)20-7-4-16(12-23-20)14-26-9-2-3-21(26)18-6-5-17-8-10-27-22(17)11-18;2*1-3-19(16-4-7-20-21(13-16)27-12-11-26-20)24(9-1)15-17-5-6-18(14-22-17)25-10-2-8-23-25/h2*4-11,15-16,23H,2-3,12-14,17H2,1H3;2*4-7,11-13,15,21H,2-3,8-10,14H2,1H3;2*2,4-8,10,13-14,19H,1,3,9,11-12,15H2/t2*23-;2*21-;2*19-/m101010/s1
• InChIKey: LLRQGAYTQGCPOL-AYVAIIJSSA-N
• XLogP: 22.78
• TPSA: 328.64 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2346.91
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine?

The IUPAC name of 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine (CID 159387559) is 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine.

What is the SMILES notation for 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine?

The canonical SMILES for 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine is CS(=O)(=O)c1ccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2)cc1.Cn1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCC4)cn2)cn1.Cn1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCC4)cn2)cn1.c1cnn(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)c1.c1cnn(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2)c1.

What is the InChIKey of 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine?

The InChIKey is LLRQGAYTQGCPOL-AYVAIIJSSA-N. The full InChI is InChI=1S/2C25H26N2O4S.2C22H24N4O.2C21H22N4O2/c2*1-32(28,29)22-9-5-18(6-10-22)20-4-8-21(26-16-20)17-27-12-2-3-23(27)19-7-11-24-25(15-19)31-14-13-30-24;2*1-25-15-19(13-24-25)20-7-4-16(12-23-20)14-26-9-2-3-21(26)18-6-5-17-8-10-27-22(17)11-18;2*1-3-19(16-4-7-20-21(13-16)27-12-11-26-20)24(9-1)15-17-5-6-18(14-22-17)25-10-2-8-23-25/h2*4-11,15-16,23H,2-3,12-14,17H2,1H3;2*4-7,11-13,15,21H,2-3,8-10,14H2,1H3;2*2,4-8,10,13-14,19H,1,3,9,11-12,15H2/t2*23-;2*21-;2*19-/m101010/s1.

What are the key properties of 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine?

2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 2346.91 g/mol, XLogP of 22.78, 26 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 159387559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).