5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide

C132H148N24O8S4 — CID 158759767

About 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide

5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 158759767) has the molecular formula C132H148N24O8S4 and a molecular weight of 2327.06 g/mol. Its IUPAC name is 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 158759767
• Molecular Formula: C132H148N24O8S4
• Molecular Weight: 2327.06 g/mol
• Exact Mass: 2325.08
• IUPAC Name: 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc([C@@H]2CCCN2Cc2ccc(-c3cnn(C)c3)cc2)cs1.CC(=O)Nc1nc([C@H]2CCCN2Cc2ccc(-c3cnn(C)c3)cc2)cs1.CC(=O)Nc1ncc(C[C@@H]2CCCN2Cc2ccc(-c3cnn(C)c3)cc2)s1.CC(=O)Nc1ncc(C[C@H]2CCCN2Cc2ccc(-c3cnn(C)c3)cc2)s1.Cc1ccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cn1.Cc1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cn1
• InChI: InChI=1S/2C25H26N2O2.2C21H25N5OS.2C20H23N5OS/c2*1-18-4-7-22(16-26-18)20-8-5-19(6-9-20)17-27-12-2-3-23(27)21-10-11-24-25(15-21)29-14-13-28-24;2*1-15(27)24-21-22-12-20(28-21)10-19-4-3-9-26(19)13-16-5-7-17(8-6-16)18-11-23-25(2)14-18;2*1-14(26)22-20-23-18(13-27-20)19-4-3-9-25(19)11-15-5-7-16(8-6-15)17-10-21-24(2)12-17/h2*4-11,15-16,23H,2-3,12-14,17H2,1H3;2*5-8,11-12,14,19H,3-4,9-10,13H2,1-2H3,(H,22,24,27);2*5-8,10,12-13,19H,3-4,9,11H2,1-2H3,(H,22,23,26)/t2*23-;4*19-/m101010/s1
• InChIKey: IONBHYAMXNBAMK-HYZKITDASA-N
• XLogP: 25.43
• TPSA: 321.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2327.06
LogP ≤ 5	25.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide (CID 158759767) is 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc([C@@H]2CCCN2Cc2ccc(-c3cnn(C)c3)cc2)cs1.CC(=O)Nc1nc([C@H]2CCCN2Cc2ccc(-c3cnn(C)c3)cc2)cs1.CC(=O)Nc1ncc(C[C@@H]2CCCN2Cc2ccc(-c3cnn(C)c3)cc2)s1.CC(=O)Nc1ncc(C[C@H]2CCCN2Cc2ccc(-c3cnn(C)c3)cc2)s1.Cc1ccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cn1.Cc1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cn1.

What is the InChIKey of 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is IONBHYAMXNBAMK-HYZKITDASA-N. The full InChI is InChI=1S/2C25H26N2O2.2C21H25N5OS.2C20H23N5OS/c2*1-18-4-7-22(16-26-18)20-8-5-19(6-9-20)17-27-12-2-3-23(27)21-10-11-24-25(15-21)29-14-13-28-24;2*1-15(27)24-21-22-12-20(28-21)10-19-4-3-9-26(19)13-16-5-7-17(8-6-16)18-11-23-25(2)14-18;2*1-14(26)22-20-23-18(13-27-20)19-4-3-9-25(19)11-15-5-7-16(8-6-15)17-10-21-24(2)12-17/h2*4-11,15-16,23H,2-3,12-14,17H2,1H3;2*5-8,11-12,14,19H,3-4,9-10,13H2,1-2H3,(H,22,24,27);2*5-8,10,12-13,19H,3-4,9,11H2,1-2H3,(H,22,23,26)/t2*23-;4*19-/m101010/s1.

What are the key properties of 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide?

5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 2327.06 g/mol, XLogP of 25.43, 30 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158759767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).