2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine

C150H186BrF6N17O2 — CID 157189000

About 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine

2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 157189000) has the molecular formula C150H186BrF6N17O2 and a molecular weight of 2453.15 g/mol. Its IUPAC name is 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
• PubChem CID: 157189000
• Molecular Formula: C150H186BrF6N17O2
• Molecular Weight: 2453.15 g/mol
• Exact Mass: 2450.41
• IUPAC Name: 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
• SMILES: Cc1cc(CCc2cc(F)cc(Br)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cc(F)cc(C#CC3C[C@H](C)CN3C(=O)OC(C)(C)C)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cc(F)cc(CCC3C[C@H](C)CN3)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cc(F)cc(CCC3C[C@H](C)CN3C)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(N)nc(CCc2cc(F)cc(CCC3C[C@H](C)CN3)c2)c1.Cc1cc(N)nc(CCc2cc(F)cc(CCC3C[C@H](C)CN3C)c2)c1
• InChI: InChI=1S/C32H38FN3O2.C28H36FN3.C27H34FN3.C22H30FN3.C21H28FN3.C20H20BrFN2/c1-21-14-28(34-30(16-21)36-23(3)8-9-24(36)4)12-10-25-17-26(19-27(33)18-25)11-13-29-15-22(2)20-35(29)31(37)38-32(5,6)7;1-19-12-26(30-28(14-19)32-21(3)6-7-22(32)4)10-8-23-15-24(17-25(29)16-23)9-11-27-13-20(2)18-31(27)5;1-18-11-26(30-27(13-18)31-20(3)5-6-21(31)4)10-8-23-14-22(15-24(28)16-23)7-9-25-12-19(2)17-29-25;1-15-8-20(25-22(24)10-15)6-4-17-11-18(13-19(23)12-17)5-7-21-9-16(2)14-26(21)3;1-14-7-20(25-21(23)9-14)6-4-17-10-16(11-18(22)12-17)3-5-19-8-15(2)13-24-19;1-13-8-19(7-6-16-10-17(21)12-18(22)11-16)23-20(9-13)24-14(2)4-5-15(24)3/h8-9,14,16-19,22,29H,10,12,15,20H2,1-7H3;6-7,12,14-17,20,27H,8-11,13,18H2,1-5H3;5-6,11,13-16,19,25,29H,7-10,12,17H2,1-4H3;8,10-13,16,21H,4-7,9,14H2,1-3H3,(H2,24,25);7,9-12,15,19,24H,3-6,8,13H2,1-2H3,(H2,23,25);4-5,8-12H,6-7H2,1-3H3/t22-,29?;20-,27?;19-,25?;16-,21?;15-,19?;/m00000./s1
• InChIKey: APLXMVONEHYCLQ-RIERUJFVSA-N
• XLogP: 31.85
• TPSA: 209.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2453.15
LogP ≤ 5	31.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?

The IUPAC name of 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine (CID 157189000) is 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine.

What is the SMILES notation for 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?

The canonical SMILES for 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(CCc2cc(F)cc(Br)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cc(F)cc(C#CC3C[C@H](C)CN3C(=O)OC(C)(C)C)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cc(F)cc(CCC3C[C@H](C)CN3)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cc(F)cc(CCC3C[C@H](C)CN3C)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(N)nc(CCc2cc(F)cc(CCC3C[C@H](C)CN3)c2)c1.Cc1cc(N)nc(CCc2cc(F)cc(CCC3C[C@H](C)CN3C)c2)c1.

What is the InChIKey of 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?

The InChIKey is APLXMVONEHYCLQ-RIERUJFVSA-N. The full InChI is InChI=1S/C32H38FN3O2.C28H36FN3.C27H34FN3.C22H30FN3.C21H28FN3.C20H20BrFN2/c1-21-14-28(34-30(16-21)36-23(3)8-9-24(36)4)12-10-25-17-26(19-27(33)18-25)11-13-29-15-22(2)20-35(29)31(37)38-32(5,6)7;1-19-12-26(30-28(14-19)32-21(3)6-7-22(32)4)10-8-23-15-24(17-25(29)16-23)9-11-27-13-20(2)18-31(27)5;1-18-11-26(30-27(13-18)31-20(3)5-6-21(31)4)10-8-23-14-22(15-24(28)16-23)7-9-25-12-19(2)17-29-25;1-15-8-20(25-22(24)10-15)6-4-17-11-18(13-19(23)12-17)5-7-21-9-16(2)14-26(21)3;1-14-7-20(25-21(23)9-14)6-4-17-10-16(11-18(22)12-17)3-5-19-8-15(2)13-24-19;1-13-8-19(7-6-16-10-17(21)12-18(22)11-16)23-20(9-13)24-14(2)4-5-15(24)3/h8-9,14,16-19,22,29H,10,12,15,20H2,1-7H3;6-7,12,14-17,20,27H,8-11,13,18H2,1-5H3;5-6,11,13-16,19,25,29H,7-10,12,17H2,1-4H3;8,10-13,16,21H,4-7,9,14H2,1-3H3,(H2,24,25);7,9-12,15,19,24H,3-6,8,13H2,1-2H3,(H2,23,25);4-5,8-12H,6-7H2,1-3H3/t22-,29?;20-,27?;19-,25?;16-,21?;15-,19?;/m00000./s1.

What are the key properties of 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?

2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 2453.15 g/mol, XLogP of 31.85, 34 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-bromo-5-fluorophenyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl (4S)-2-[2-[3-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-5-fluorophenyl]ethynyl]-4-methylpyrrolidine-1-carboxylate;2-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;6-[2-[3-[2-[(4S)-1,4-dimethylpyrrolidin-2-yl]ethyl]-5-fluorophenyl]ethyl]-4-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridine;6-[2-[3-fluoro-5-[2-[(4S)-4-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 157189000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).