2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline

C144H150N18O10 — CID 158551399

IUPAC2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline
SMILESCOc1cccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)n1.COc1cccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)n1.Cn1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4cccnc4c3)cc2)cn1.Cn1cc(-c2ccc(CN3CCC[C@H]3c3ccc4cccnc4c3)cc2)cn1.Cn1ccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)n1.Cn1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)n1
InChIInChI=1S/2C25H26N2O3.2C24H24N4.2C23H25N3O2/c2*1-28-25-6-2-4-21(26-25)19-9-7-18(8-10-19)17-27-13-3-5-22(27)20-11-12-23-24(16-20)30-15-14-29-23;2*1-27-17-22(15-26-27)19-8-6-18(7-9-19)16-28-13-3-5-24(28)21-11-10-20-4-2-12-25-23(20)14-21;2*1-25-12-10-20(24-25)18-6-4-17(5-7-18)16-26-11-2-3-21(26)19-8-9-22-23(15-19)28-14-13-27-22/h2*2,4,6-12,16,22H,3,5,13-15,17H2,1H3;2*2,4,6-12,14-15,17,24H,3,5,13,16H2,1H3;2*4-10,12,15,21H,2-3,11,13-14,16H2,1H3/t2*22-;2*24-;2*21-/m101010/s1
InChIKeyHPTOPXLRDDNTEK-SMVZRLGVSA-N
MW2292.90 g/mol
LogP28.07
Rot. Bonds26

About 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline

2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline (PubChem CID 158551399) has the molecular formula C144H150N18O10 and a molecular weight of 2292.90 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline.

Molecular Properties

Compound Name2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline
PubChem CID158551399
Molecular FormulaC144H150N18O10
Molecular Weight2292.90 g/mol
Exact Mass2291.18
IUPAC Name2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline
SMILESCOc1cccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)n1.COc1cccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)n1.Cn1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4cccnc4c3)cc2)cn1.Cn1cc(-c2ccc(CN3CCC[C@H]3c3ccc4cccnc4c3)cc2)cn1.Cn1ccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)n1.Cn1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)n1
InChIInChI=1S/2C25H26N2O3.2C24H24N4.2C23H25N3O2/c2*1-28-25-6-2-4-21(26-25)19-9-7-18(8-10-19)17-27-13-3-5-22(27)20-11-12-23-24(16-20)30-15-14-29-23;2*1-27-17-22(15-26-27)19-8-6-18(7-9-19)16-28-13-3-5-24(28)21-11-10-20-4-2-12-25-23(20)14-21;2*1-25-12-10-20(24-25)18-6-4-17(5-7-18)16-26-11-2-3-21(26)19-8-9-22-23(15-19)28-14-13-27-22/h2*2,4,6-12,16,22H,3,5,13-15,17H2,1H3;2*2,4,6-12,14-15,17,24H,3,5,13,16H2,1H3;2*4-10,12,15,21H,2-3,11,13-14,16H2,1H3/t2*22-;2*24-;2*21-/m101010/s1
InChIKeyHPTOPXLRDDNTEK-SMVZRLGVSA-N
XLogP28.07
TPSA234.58 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002292.90
LogP ≤ 528.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline?
The IUPAC name of 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline (CID 158551399) is 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline.
What is the SMILES notation for 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline?
The canonical SMILES for 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline is COc1cccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)n1.COc1cccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)n1.Cn1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4cccnc4c3)cc2)cn1.Cn1cc(-c2ccc(CN3CCC[C@H]3c3ccc4cccnc4c3)cc2)cn1.Cn1ccc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)n1.Cn1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)n1.
What is the InChIKey of 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline?
The InChIKey is HPTOPXLRDDNTEK-SMVZRLGVSA-N. The full InChI is InChI=1S/2C25H26N2O3.2C24H24N4.2C23H25N3O2/c2*1-28-25-6-2-4-21(26-25)19-9-7-18(8-10-19)17-27-13-3-5-22(27)20-11-12-23-24(16-20)30-15-14-29-23;2*1-27-17-22(15-26-27)19-8-6-18(7-9-19)16-28-13-3-5-24(28)21-11-10-20-4-2-12-25-23(20)14-21;2*1-25-12-10-20(24-25)18-6-4-17(5-7-18)16-26-11-2-3-21(26)19-8-9-22-23(15-19)28-14-13-27-22/h2*2,4,6-12,16,22H,3,5,13-15,17H2,1H3;2*2,4,6-12,14-15,17,24H,3,5,13,16H2,1H3;2*4-10,12,15,21H,2-3,11,13-14,16H2,1H3/t2*22-;2*24-;2*21-/m101010/s1.
What are the key properties of 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline?
2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline has a molecular weight of 2292.90 g/mol, XLogP of 28.07, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-6-methoxypyridine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;7-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline;7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]quinoline is sourced from PubChem (CID 158551399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).