[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole

C98H118BBrF3N13O10 — CID 158529182

About [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole

[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole (PubChem CID 158529182) has the molecular formula C98H118BBrF3N13O10 and a molecular weight of 1785.81 g/mol. Its IUPAC name is [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole.

Molecular Properties

• Compound Name: [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole
• PubChem CID: 158529182
• Molecular Formula: C98H118BBrF3N13O10
• Molecular Weight: 1785.81 g/mol
• Exact Mass: 1783.84
• IUPAC Name: [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole
• SMILES: CN1CC=C(B2OC(C)(C)C(C)(C)O2)C1.CN1CC=C(c2cccc(C(=O)O)n2)C1.COC(=O)c1cccc(Br)n1.COC(=O)c1cccc(C2=CCN(C)C2)n1.Cc1cccc(F)c1C1CCN(C(=O)c2cccc(C3=CCN(C)C3)n2)CC1.Cc1cccc(F)c1C1CCN(C(=O)c2cccc(C3=CCNC3)n2)CC1.Cc1cccc(F)c1C1CCNCC1
• InChI: InChI=1S/C23H26FN3O.C22H24FN3O.C12H16FN.C12H14N2O2.C11H20BNO2.C11H12N2O2.C7H6BrNO2/c1-16-5-3-6-19(24)22(16)17-10-13-27(14-11-17)23(28)21-8-4-7-20(25-21)18-9-12-26(2)15-18;1-15-4-2-5-18(23)21(15)16-9-12-26(13-10-16)22(27)20-7-3-6-19(25-20)17-8-11-24-14-17;1-9-3-2-4-11(13)12(9)10-5-7-14-8-6-10;1-14-7-6-9(8-14)10-4-3-5-11(13-10)12(15)16-2;1-10(2)11(3,4)15-12(14-10)9-6-7-13(5)8-9;1-13-6-5-8(7-13)9-3-2-4-10(12-9)11(14)15;1-11-7(10)5-3-2-4-6(8)9-5/h3-9,17H,10-15H2,1-2H3;2-8,16,24H,9-14H2,1H3;2-4,10,14H,5-8H2,1H3;3-6H,7-8H2,1-2H3;6H,7-8H2,1-5H3;2-5H,6-7H2,1H3,(H,14,15);2-4H,1H3
• InChIKey: HNDTXLVXLLDHIO-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 250.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1785.81
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole?

The IUPAC name of [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole (CID 158529182) is [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole.

What is the SMILES notation for [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole?

The canonical SMILES for [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole is CN1CC=C(B2OC(C)(C)C(C)(C)O2)C1.CN1CC=C(c2cccc(C(=O)O)n2)C1.COC(=O)c1cccc(Br)n1.COC(=O)c1cccc(C2=CCN(C)C2)n1.Cc1cccc(F)c1C1CCN(C(=O)c2cccc(C3=CCN(C)C3)n2)CC1.Cc1cccc(F)c1C1CCN(C(=O)c2cccc(C3=CCNC3)n2)CC1.Cc1cccc(F)c1C1CCNCC1.

What is the InChIKey of [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole?

The InChIKey is HNDTXLVXLLDHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O.C22H24FN3O.C12H16FN.C12H14N2O2.C11H20BNO2.C11H12N2O2.C7H6BrNO2/c1-16-5-3-6-19(24)22(16)17-10-13-27(14-11-17)23(28)21-8-4-7-20(25-21)18-9-12-26(2)15-18;1-15-4-2-5-18(23)21(15)16-9-12-26(13-10-16)22(27)20-7-3-6-19(25-20)17-8-11-24-14-17;1-9-3-2-4-11(13)12(9)10-5-7-14-8-6-10;1-14-7-6-9(8-14)10-4-3-5-11(13-10)12(15)16-2;1-10(2)11(3,4)15-12(14-10)9-6-7-13(5)8-9;1-13-6-5-8(7-13)9-3-2-4-10(12-9)11(14)15;1-11-7(10)5-3-2-4-6(8)9-5/h3-9,17H,10-15H2,1-2H3;2-8,16,24H,9-14H2,1H3;2-4,10,14H,5-8H2,1H3;3-6H,7-8H2,1-2H3;6H,7-8H2,1-5H3;2-5H,6-7H2,1H3,(H,14,15);2-4H,1H3.

What are the key properties of [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole?

[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole has a molecular weight of 1785.81 g/mol, XLogP of 15.44, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2,5-dihydro-1H-pyrrol-3-yl)-2-pyridinyl]-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]methanone;4-(2-fluoro-6-methylphenyl)piperidine;[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-[6-(1-methyl-2,5-dihydropyrrol-3-yl)-2-pyridinyl]methanone;methyl 6-bromopyridine-2-carboxylate;6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylic acid;methyl 6-(1-methyl-2,5-dihydropyrrol-3-yl)pyridine-2-carboxylate;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole is sourced from PubChem (CID 158529182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).