N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine

C84H122ClF3N18O14S3Si2 — CID 162063463

About N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine

N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine (PubChem CID 162063463) has the molecular formula C84H122ClF3N18O14S3Si2 and a molecular weight of 1852.83 g/mol. Its IUPAC name is N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine
• PubChem CID: 162063463
• Molecular Formula: C84H122ClF3N18O14S3Si2
• Molecular Weight: 1852.83 g/mol
• Exact Mass: 1850.77
• IUPAC Name: N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine
• SMILES: CN(C)CC1CCNC1.COc1cc(-c2cc(F)cc(C(C)C)c2Oc2n[nH]c(S(=O)(=O)N3CCC(CN(C)C)C3)n2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2Oc2nc(S(=O)(=O)Cl)nn2COCC[Si](C)(C)C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2Oc2nc(S(=O)(=O)N3CCC(CN(C)C)C3)nn2COCC[Si](C)(C)C)ccn1
• InChI: InChI=1S/C30H45FN6O5SSi.C24H31FN6O4S.C23H30ClFN4O5SSi.C7H16N2/c1-21(2)25-16-24(31)17-26(23-9-11-32-27(15-23)40-5)28(25)42-30-33-29(34-37(30)20-41-13-14-44(6,7)8)43(38,39)36-12-10-22(19-36)18-35(3)4;1-15(2)19-11-18(25)12-20(17-6-8-26-21(10-17)34-5)22(19)35-23-27-24(29-28-23)36(32,33)31-9-7-16(14-31)13-30(3)4;1-15(2)18-12-17(25)13-19(16-7-8-26-20(11-16)32-3)21(18)34-23-27-22(35(24,30)31)28-29(23)14-33-9-10-36(4,5)6;1-9(2)6-7-3-4-8-5-7/h9,11,15-17,21-22H,10,12-14,18-20H2,1-8H3;6,8,10-12,15-16H,7,9,13-14H2,1-5H3,(H,27,28,29);7-8,11-13,15H,9-10,14H2,1-6H3;7-8H,3-6H2,1-2H3
• InChIKey: ZADLKTDBUNEHIA-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 346.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.83
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine?

The IUPAC name of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine (CID 162063463) is N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine.

What is the SMILES notation for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine?

The canonical SMILES for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine is CN(C)CC1CCNC1.COc1cc(-c2cc(F)cc(C(C)C)c2Oc2n[nH]c(S(=O)(=O)N3CCC(CN(C)C)C3)n2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2Oc2nc(S(=O)(=O)Cl)nn2COCC[Si](C)(C)C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2Oc2nc(S(=O)(=O)N3CCC(CN(C)C)C3)nn2COCC[Si](C)(C)C)ccn1.

What is the InChIKey of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine?

The InChIKey is ZADLKTDBUNEHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45FN6O5SSi.C24H31FN6O4S.C23H30ClFN4O5SSi.C7H16N2/c1-21(2)25-16-24(31)17-26(23-9-11-32-27(15-23)40-5)28(25)42-30-33-29(34-37(30)20-41-13-14-44(6,7)8)43(38,39)36-12-10-22(19-36)18-35(3)4;1-15(2)19-11-18(25)12-20(17-6-8-26-21(10-17)34-5)22(19)35-23-27-24(29-28-23)36(32,33)31-9-7-16(14-31)13-30(3)4;1-15(2)18-12-17(25)13-19(16-7-8-26-20(11-16)32-3)21(18)34-23-27-22(35(24,30)31)28-29(23)14-33-9-10-36(4,5)6;1-9(2)6-7-3-4-8-5-7/h9,11,15-17,21-22H,10,12-14,18-20H2,1-8H3;6,8,10-12,15-16H,7,9,13-14H2,1-5H3,(H,27,28,29);7-8,11-13,15H,9-10,14H2,1-6H3;7-8H,3-6H2,1-2H3.

What are the key properties of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine?

N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 1852.83 g/mol, XLogP of 14.59, 36 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 162063463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).