2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium

C77H100BBrN12O6WY — CID 159662997

About 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium

2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium (PubChem CID 159662997) has the molecular formula C77H100BBrN12O6WY and a molecular weight of 1653.19 g/mol. Its IUPAC name is 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium.

Molecular Properties

• Compound Name: 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium
• PubChem CID: 159662997
• Molecular Formula: C77H100BBrN12O6WY
• Molecular Weight: 1653.19 g/mol
• Exact Mass: 1651.57
• IUPAC Name: 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium
• SMILES: CC(C)(C)OC(=O)N1CC=C(B(O)O)CC1.Cc1cc(CCc2cncc(Br)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cncc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(N)nc(CCc2cncc(C3CCN(C)CC3)c2)c1.[W].[Y]
• InChI: InChI=1S/C29H36N4O2.C19H20BrN3.C19H26N4.C10H18BNO4.W.Y/c1-20-15-26(31-27(16-20)33-21(2)7-8-22(33)3)10-9-23-17-25(19-30-18-23)24-11-13-32(14-12-24)28(34)35-29(4,5)6;1-13-8-18(7-6-16-10-17(20)12-21-11-16)22-19(9-13)23-14(2)4-5-15(23)3;1-14-9-18(22-19(20)10-14)4-3-15-11-17(13-21-12-15)16-5-7-23(2)8-6-16;1-10(2,3)16-9(13)12-6-4-8(5-7-12)11(14)15;;/h7-8,11,15-19H,9-10,12-14H2,1-6H3;4-5,8-12H,6-7H2,1-3H3;9-13,16H,3-8H2,1-2H3,(H2,20,22);4,14-15H,5-7H2,1-3H3
• InChIKey: NPCXFGVHSQHGNF-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 216.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1653.19
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium?

The IUPAC name of 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium (CID 159662997) is 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium.

What is the SMILES notation for 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium?

The canonical SMILES for 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium is CC(C)(C)OC(=O)N1CC=C(B(O)O)CC1.Cc1cc(CCc2cncc(Br)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cncc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(N)nc(CCc2cncc(C3CCN(C)CC3)c2)c1.[W].[Y].

What is the InChIKey of 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium?

The InChIKey is NPCXFGVHSQHGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2.C19H20BrN3.C19H26N4.C10H18BNO4.W.Y/c1-20-15-26(31-27(16-20)33-21(2)7-8-22(33)3)10-9-23-17-25(19-30-18-23)24-11-13-32(14-12-24)28(34)35-29(4,5)6;1-13-8-18(7-6-16-10-17(20)12-21-11-16)22-19(9-13)23-14(2)4-5-15(23)3;1-14-9-18(22-19(20)10-14)4-3-15-11-17(13-21-12-15)16-5-7-23(2)8-6-16;1-10(2,3)16-9(13)12-6-4-8(5-7-12)11(14)15;;/h7-8,11,15-19H,9-10,12-14H2,1-6H3;4-5,8-12H,6-7H2,1-3H3;9-13,16H,3-8H2,1-2H3,(H2,20,22);4,14-15H,5-7H2,1-3H3;;.

What are the key properties of 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium?

2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium has a molecular weight of 1653.19 g/mol, XLogP of 14.26, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid;tungsten;yttrium is sourced from PubChem (CID 159662997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).