[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C110H125BBr2F4N14O12 — CID 162250559

About [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (PubChem CID 162250559) has the molecular formula C110H125BBr2F4N14O12 and a molecular weight of 2081.91 g/mol. Its IUPAC name is [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.

Molecular Properties

• Compound Name: [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
• PubChem CID: 162250559
• Molecular Formula: C110H125BBr2F4N14O12
• Molecular Weight: 2081.91 g/mol
• Exact Mass: 2078.80
• IUPAC Name: [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
• SMILES: C1CN[C@@H](CN2CCCC2)C1.CC1(C)OB(c2ccc(C(=O)O)cc2)OC1(C)C.Fc1ccc(CBr)c(C(F)(F)F)c1.Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1O.Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1.Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccccc1.Nc1ncc(Br)cc1OCc1ccccc1
• InChI: InChI=1S/C28H32N4O2.C21H26N4O2.C19H16N2O3.C13H17BO4.C12H11BrN2O.C9H18N2.C8H5BrF4/c29-27-26(34-20-21-7-2-1-3-8-21)17-24(18-30-27)22-10-12-23(13-11-22)28(33)32-16-6-9-25(32)19-31-14-4-5-15-31;22-20-19(26)12-17(13-23-20)15-5-7-16(8-6-15)21(27)25-11-3-4-18(25)14-24-9-1-2-10-24;20-18-17(24-12-13-4-2-1-3-5-13)10-16(11-21-18)14-6-8-15(9-7-14)19(22)23;1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16;13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9;1-2-7-11(6-1)8-9-4-3-5-10-9;9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3,7-8,10-13,17-18,25H,4-6,9,14-16,19-20H2,(H2,29,30);5-8,12-13,18,26H,1-4,9-11,14H2,(H2,22,23);1-11H,12H2,(H2,20,21)(H,22,23);5-8H,1-4H3,(H,15,16);1-7H,8H2,(H2,14,15);9-10H,1-8H2;1-3H,4H2/t25-;18-;;;;9-;/m11...1./s1
• InChIKey: ZXXVRCDWWMYTDQ-FBCDOTNPSA-N
• XLogP: 20.22
• TPSA: 358.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.91
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

The IUPAC name of [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CID 162250559) is [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.

What is the SMILES notation for [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

The canonical SMILES for [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is C1CN[C@@H](CN2CCCC2)C1.CC1(C)OB(c2ccc(C(=O)O)cc2)OC1(C)C.Fc1ccc(CBr)c(C(F)(F)F)c1.Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1O.Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1.Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccccc1.Nc1ncc(Br)cc1OCc1ccccc1.

What is the InChIKey of [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

The InChIKey is ZXXVRCDWWMYTDQ-FBCDOTNPSA-N. The full InChI is InChI=1S/C28H32N4O2.C21H26N4O2.C19H16N2O3.C13H17BO4.C12H11BrN2O.C9H18N2.C8H5BrF4/c29-27-26(34-20-21-7-2-1-3-8-21)17-24(18-30-27)22-10-12-23(13-11-22)28(33)32-16-6-9-25(32)19-31-14-4-5-15-31;22-20-19(26)12-17(13-23-20)15-5-7-16(8-6-15)21(27)25-11-3-4-18(25)14-24-9-1-2-10-24;20-18-17(24-12-13-4-2-1-3-5-13)10-16(11-21-18)14-6-8-15(9-7-14)19(22)23;1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16;13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9;1-2-7-11(6-1)8-9-4-3-5-10-9;9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3,7-8,10-13,17-18,25H,4-6,9,14-16,19-20H2,(H2,29,30);5-8,12-13,18,26H,1-4,9-11,14H2,(H2,22,23);1-11H,12H2,(H2,20,21)(H,22,23);5-8H,1-4H3,(H,15,16);1-7H,8H2,(H2,14,15);9-10H,1-8H2;1-3H,4H2/t25-;18-;;;;9-;/m11...1./s1.

What are the key properties of [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid has a molecular weight of 2081.91 g/mol, XLogP of 20.22, 24 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is sourced from PubChem (CID 162250559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).