2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole

C148H154Cl2N12O16S2 — CID 162005655

IUPAC2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)c1.CS(=O)(=O)c1cccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)c1.Cc1cc(-c2cnn(C)c2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2.Cc1cc(-c2cnn(C)c2)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2.Clc1cc(-c2ccccn2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2.Clc1cc(-c2ccccn2)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/2C26H27NO4S.2C24H23ClN2O2.2C24H27N3O2/c2*1-32(28,29)23-5-2-4-21(16-23)20-9-7-19(8-10-20)18-27-13-3-6-24(27)22-11-12-25-26(17-22)31-15-14-30-25;2*25-20-14-17(21-4-1-2-10-26-21)6-7-19(20)16-27-11-3-5-22(27)18-8-9-23-24(15-18)29-13-12-28-23;2*1-17-12-18(21-14-25-26(2)15-21)5-6-20(17)16-27-9-3-4-22(27)19-7-8-23-24(13-19)29-11-10-28-23/h2*2,4-5,7-12,16-17,24H,3,6,13-15,18H2,1H3;2*1-2,4,6-10,14-15,22H,3,5,11-13,16H2;2*5-8,12-15,22H,3-4,9-11,16H2,1-2H3/t2*24-;4*22-/m101010/s1
InChIKeyYSUJUDIABBCWBO-PTLLRNINSA-N
MW2491.97 g/mol
LogP29.76
Rot. Bonds26

About 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole

2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole (PubChem CID 162005655) has the molecular formula C148H154Cl2N12O16S2 and a molecular weight of 2491.97 g/mol. Its IUPAC name is 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole.

Molecular Properties

Compound Name2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole
PubChem CID162005655
Molecular FormulaC148H154Cl2N12O16S2
Molecular Weight2491.97 g/mol
Exact Mass2489.04
IUPAC Name2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)c1.CS(=O)(=O)c1cccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)c1.Cc1cc(-c2cnn(C)c2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2.Cc1cc(-c2cnn(C)c2)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2.Clc1cc(-c2ccccn2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2.Clc1cc(-c2ccccn2)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/2C26H27NO4S.2C24H23ClN2O2.2C24H27N3O2/c2*1-32(28,29)23-5-2-4-21(16-23)20-9-7-19(8-10-20)18-27-13-3-6-24(27)22-11-12-25-26(17-22)31-15-14-30-25;2*25-20-14-17(21-4-1-2-10-26-21)6-7-19(20)16-27-11-3-5-22(27)18-8-9-23-24(15-18)29-13-12-28-23;2*1-17-12-18(21-14-25-26(2)15-21)5-6-20(17)16-27-9-3-4-22(27)19-7-8-23-24(13-19)29-11-10-28-23/h2*2,4-5,7-12,16-17,24H,3,6,13-15,18H2,1H3;2*1-2,4,6-10,14-15,22H,3,5,11-13,16H2;2*5-8,12-15,22H,3-4,9-11,16H2,1-2H3/t2*24-;4*22-/m101010/s1
InChIKeyYSUJUDIABBCWBO-PTLLRNINSA-N
XLogP29.76
TPSA259.90 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002491.97
LogP ≤ 529.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole with MolForge

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Related Compounds

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(2-methylsulfonylethoxy)phenyl]methyl]pyrrolidine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-5-methylsulfonylpyridine;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-5-methylsulfonylpyridine;2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazine
CID 157069275
2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridine;5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(4-methylsulfonylphenyl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(4-methylsulfonylphenyl)pyridine;1-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazole;1-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazole
CID 157869655
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
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine;5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole
CID 161998767

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole?
The IUPAC name of 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole (CID 162005655) is 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole.
What is the SMILES notation for 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole?
The canonical SMILES for 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole is CS(=O)(=O)c1cccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)c1.CS(=O)(=O)c1cccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)c1.Cc1cc(-c2cnn(C)c2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2.Cc1cc(-c2cnn(C)c2)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2.Clc1cc(-c2ccccn2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2.Clc1cc(-c2ccccn2)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole?
The InChIKey is YSUJUDIABBCWBO-PTLLRNINSA-N. The full InChI is InChI=1S/2C26H27NO4S.2C24H23ClN2O2.2C24H27N3O2/c2*1-32(28,29)23-5-2-4-21(16-23)20-9-7-19(8-10-20)18-27-13-3-6-24(27)22-11-12-25-26(17-22)31-15-14-30-25;2*25-20-14-17(21-4-1-2-10-26-21)6-7-19(20)16-27-11-3-5-22(27)18-8-9-23-24(15-18)29-13-12-28-23;2*1-17-12-18(21-14-25-26(2)15-21)5-6-20(17)16-27-9-3-4-22(27)19-7-8-23-24(13-19)29-11-10-28-23/h2*2,4-5,7-12,16-17,24H,3,6,13-15,18H2,1H3;2*1-2,4,6-10,14-15,22H,3,5,11-13,16H2;2*5-8,12-15,22H,3-4,9-11,16H2,1-2H3/t2*24-;4*22-/m101010/s1.
What are the key properties of 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole?
2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole has a molecular weight of 2491.97 g/mol, XLogP of 29.76, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;2-[3-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridine;(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(3-methylsulfonylphenyl)phenyl]methyl]pyrrolidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole is sourced from PubChem (CID 162005655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).