tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C147H203B3BrCl2N19O19 — CID 158204887

About tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 158204887) has the molecular formula C147H203B3BrCl2N19O19 and a molecular weight of 2723.60 g/mol. Its IUPAC name is tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• PubChem CID: 158204887
• Molecular Formula: C147H203B3BrCl2N19O19
• Molecular Weight: 2723.60 g/mol
• Exact Mass: 2720.43
• IUPAC Name: tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• SMILES: C.CC(C)(C)OC(=O)N1CCCC(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1.CC(C)(C)OC(=O)N1CCCC(c2cccc(Br)c2)C1.CC1OB(B2OC(C)C(C)(C)O2)OC1(C)C.Cl.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(C4CCCN(C(=O)c5cccnc5)C4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(C4CCCNC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(Cl)nc21.O=C(O)c1cccnc1
• InChI: InChI=1S/C29H33N5O2.C28H38N4O3.C23H30N4O.C22H34BNO4.C16H22BrNO2.C12H16ClN3O.C10H20B2O4.C6H5NO2.CH4.ClH/c1-29(2,3)19-34-25-13-12-24(31-26(25)32(4)28(34)36)21-9-5-8-20(16-21)23-11-7-15-33(18-23)27(35)22-10-6-14-30-17-22;1-27(2,3)18-32-23-14-13-22(29-24(23)30(7)25(32)33)20-11-8-10-19(16-20)21-12-9-15-31(17-21)26(34)35-28(4,5)6;1-23(2,3)15-27-20-11-10-19(25-21(20)26(4)22(27)28)17-8-5-7-16(13-17)18-9-6-12-24-14-18;1-20(2,3)26-19(25)24-13-9-11-17(15-24)16-10-8-12-18(14-16)23-27-21(4,5)22(6,7)28-23;1-16(2,3)20-15(19)18-9-5-7-13(11-18)12-6-4-8-14(17)10-12;1-12(2,3)7-16-8-5-6-9(13)14-10(8)15(4)11(16)17;1-7-9(3,4)15-11(13-7)12-14-8(2)10(5,6)16-12;8-6(9)5-2-1-3-7-4-5;;/h5-6,8-10,12-14,16-17,23H,7,11,15,18-19H2,1-4H3;8,10-11,13-14,16,21H,9,12,15,17-18H2,1-7H3;5,7-8,10-11,13,18,24H,6,9,12,14-15H2,1-4H3;8,10,12,14,17H,9,11,13,15H2,1-7H3;4,6,8,10,13H,5,7,9,11H2,1-3H3;5-6H,7H2,1-4H3;7-8H,1-6H3;1-4H,(H,8,9);1H4;1H
• InChIKey: LFURJZJEYWOBBB-UHFFFAOYSA-N
• XLogP: 28.75
• TPSA: 398.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2723.60
LogP ≤ 5	28.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The IUPAC name of tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 158204887) is tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

What is the SMILES notation for tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The canonical SMILES for tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is C.CC(C)(C)OC(=O)N1CCCC(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1.CC(C)(C)OC(=O)N1CCCC(c2cccc(Br)c2)C1.CC1OB(B2OC(C)C(C)(C)O2)OC1(C)C.Cl.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(C4CCCN(C(=O)c5cccnc5)C4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(C4CCCNC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(Cl)nc21.O=C(O)c1cccnc1.

What is the InChIKey of tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The InChIKey is LFURJZJEYWOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2.C28H38N4O3.C23H30N4O.C22H34BNO4.C16H22BrNO2.C12H16ClN3O.C10H20B2O4.C6H5NO2.CH4.ClH/c1-29(2,3)19-34-25-13-12-24(31-26(25)32(4)28(34)36)21-9-5-8-20(16-21)23-11-7-15-33(18-23)27(35)22-10-6-14-30-17-22;1-27(2,3)18-32-23-14-13-22(29-24(23)30(7)25(32)33)20-11-8-10-19(16-20)21-12-9-15-31(17-21)26(34)35-28(4,5)6;1-23(2,3)15-27-20-11-10-19(25-21(20)26(4)22(27)28)17-8-5-7-16(13-17)18-9-6-12-24-14-18;1-20(2,3)26-19(25)24-13-9-11-17(15-24)16-10-8-12-18(14-16)23-27-21(4,5)22(6,7)28-23;1-16(2,3)20-15(19)18-9-5-7-13(11-18)12-6-4-8-14(17)10-12;1-12(2,3)7-16-8-5-6-9(13)14-10(8)15(4)11(16)17;1-7-9(3,4)15-11(13-7)12-14-8(2)10(5,6)16-12;8-6(9)5-2-1-3-7-4-5;;/h5-6,8-10,12-14,16-17,23H,7,11,15,18-19H2,1-4H3;8,10-11,13-14,16,21H,9,12,15,17-18H2,1-7H3;5,7-8,10-11,13,18,24H,6,9,12,14-15H2,1-4H3;8,10,12,14,17H,9,11,13,15H2,1-7H3;4,6,8,10,13H,5,7,9,11H2,1-3H3;5-6H,7H2,1-4H3;7-8H,1-6H3;1-4H,(H,8,9);1H4;1H.

What are the key properties of tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 2723.60 g/mol, XLogP of 28.75, 16 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperidine-1-carboxylate;tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperidin-3-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-[1-(pyridine-3-carbonyl)piperidin-3-yl]phenyl]imidazo[4,5-b]pyridin-2-one;methane;pyridine-3-carboxylic acid;4,4,5-trimethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 158204887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).