[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate

C106H137BBr2N20O19 — CID 163455871

About [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate

[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate (PubChem CID 163455871) has the molecular formula C106H137BBr2N20O19 and a molecular weight of 2166.00 g/mol. Its IUPAC name is [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
• PubChem CID: 163455871
• Molecular Formula: C106H137BBr2N20O19
• Molecular Weight: 2166.00 g/mol
• Exact Mass: 2162.88
• IUPAC Name: [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
• SMILES: Cc1nc(-c2ncn(C)c2COC(=O)N(C)C2CCCC2)ccc1B1OC(C)(C)C(C)(C)O1.Cc1nc(-c2ncn(C)c2COC(=O)N(C)C2CCCC2)ccc1Br.Cc1nc(-c2ncn(C)c2COC(=O)N(C)C2CCCC2)ccc1O.Cc1nc(-c2ncn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2ncn(C)c2COC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1Br
• InChI: InChI=1S/C28H40N4O5.C24H35BN4O4.C18H15BrN4O5.C18H23BrN4O2.C18H24N4O3/c1-18(2)36-27(33)20-9-8-12-22(15-20)37-25-14-13-23(30-19(25)3)26-24(31(4)17-29-26)16-35-28(34)32(5)21-10-6-7-11-21;1-16-18(25-32-23(2,3)24(4,5)33-25)12-13-19(27-16)21-20(28(6)15-26-21)14-31-22(30)29(7)17-10-8-9-11-17;1-11-14(19)7-8-15(21-11)17-16(22(2)10-20-17)9-27-18(24)28-13-5-3-12(4-6-13)23(25)26;1-12-14(19)8-9-15(21-12)17-16(22(2)11-20-17)10-25-18(24)23(3)13-6-4-5-7-13;1-12-16(23)9-8-14(20-12)17-15(21(2)11-19-17)10-25-18(24)22(3)13-6-4-5-7-13/h13-14,17-18,20-22H,6-12,15-16H2,1-5H3;12-13,15,17H,8-11,14H2,1-7H3;3-8,10H,9H2,1-2H3;8-9,11,13H,4-7,10H2,1-3H3;8-9,11,13,23H,4-7,10H2,1-3H3/t20-,22-;;;;/m0..../s1
• InChIKey: BKKRRWPAFHMAMF-PVLMUORFSA-N
• XLogP: 20.04
• TPSA: 424.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.00
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate?

The IUPAC name of [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate (CID 163455871) is [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate.

What is the SMILES notation for [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate?

The canonical SMILES for [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate is Cc1nc(-c2ncn(C)c2COC(=O)N(C)C2CCCC2)ccc1B1OC(C)(C)C(C)(C)O1.Cc1nc(-c2ncn(C)c2COC(=O)N(C)C2CCCC2)ccc1Br.Cc1nc(-c2ncn(C)c2COC(=O)N(C)C2CCCC2)ccc1O.Cc1nc(-c2ncn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2ncn(C)c2COC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1Br.

What is the InChIKey of [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate?

The InChIKey is BKKRRWPAFHMAMF-PVLMUORFSA-N. The full InChI is InChI=1S/C28H40N4O5.C24H35BN4O4.C18H15BrN4O5.C18H23BrN4O2.C18H24N4O3/c1-18(2)36-27(33)20-9-8-12-22(15-20)37-25-14-13-23(30-19(25)3)26-24(31(4)17-29-26)16-35-28(34)32(5)21-10-6-7-11-21;1-16-18(25-32-23(2,3)24(4,5)33-25)12-13-19(27-16)21-20(28(6)15-26-21)14-31-22(30)29(7)17-10-8-9-11-17;1-11-14(19)7-8-15(21-11)17-16(22(2)10-20-17)9-27-18(24)28-13-5-3-12(4-6-13)23(25)26;1-12-14(19)8-9-15(21-12)17-16(22(2)11-20-17)10-25-18(24)23(3)13-6-4-5-7-13;1-12-16(23)9-8-14(20-12)17-15(21(2)11-19-17)10-25-18(24)22(3)13-6-4-5-7-13/h13-14,17-18,20-22H,6-12,15-16H2,1-5H3;12-13,15,17H,8-11,14H2,1-7H3;3-8,10H,9H2,1-2H3;8-9,11,13H,4-7,10H2,1-3H3;8-9,11,13,23H,4-7,10H2,1-3H3/t20-,22-;;;;/m0..../s1.

What are the key properties of [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate?

[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate has a molecular weight of 2166.00 g/mol, XLogP of 20.04, 26 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl (4-nitrophenyl) carbonate;[5-(5-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylimidazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 163455871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).