tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C75H99BBrN19O9 — CID 159015802

About tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159015802) has the molecular formula C75H99BBrN19O9 and a molecular weight of 1501.46 g/mol. Its IUPAC name is tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159015802
• Molecular Formula: C75H99BBrN19O9
• Molecular Weight: 1501.46 g/mol
• Exact Mass: 1499.71
• IUPAC Name: tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CN(C)C1CCN(c2ccc3ncn(C(=O)OC(C)(C)C)c3n2)CC1.COC(=O)c1ccnc(-c2c(C)nn(C)c2C)c1.COC(=O)c1ccnc(Br)c1.Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1.Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C25H30N8O.C18H27N5O2.C13H15N3O2.C12H21BN2O2.C7H6BrNO2/c1-15-22(16(2)32(5)30-15)20-14-17(8-11-26-20)23(34)25-27-19-6-7-21(28-24(19)29-25)33-12-9-18(10-13-33)31(3)4;1-18(2,3)25-17(24)23-12-19-14-6-7-15(20-16(14)23)22-10-8-13(9-11-22)21(4)5;1-8-12(9(2)16(3)15-8)11-7-10(5-6-14-11)13(17)18-4;1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13;1-11-7(10)5-2-3-9-6(8)4-5/h6-8,11,14,18H,9-10,12-13H2,1-5H3,(H,27,28,29);6-7,12-13H,8-11H2,1-5H3;5-7H,1-4H3;1-7H3;2-4H,1H3
• InChIKey: JTBPEHQIDIGAJF-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 291.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.46
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

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 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159015802) is tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CN(C)C1CCN(c2ccc3ncn(C(=O)OC(C)(C)C)c3n2)CC1.COC(=O)c1ccnc(-c2c(C)nn(C)c2C)c1.COC(=O)c1ccnc(Br)c1.Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1.Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is JTBPEHQIDIGAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O.C18H27N5O2.C13H15N3O2.C12H21BN2O2.C7H6BrNO2/c1-15-22(16(2)32(5)30-15)20-14-17(8-11-26-20)23(34)25-27-19-6-7-21(28-24(19)29-25)33-12-9-18(10-13-33)31(3)4;1-18(2,3)25-17(24)23-12-19-14-6-7-15(20-16(14)23)22-10-8-13(9-11-22)21(4)5;1-8-12(9(2)16(3)15-8)11-7-10(5-6-14-11)13(17)18-4;1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13;1-11-7(10)5-2-3-9-6(8)4-5/h6-8,11,14,18H,9-10,12-13H2,1-5H3,(H,27,28,29);6-7,12-13H,8-11H2,1-5H3;5-7H,1-4H3;1-7H3;2-4H,1H3.

What are the key properties of tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1501.46 g/mol, XLogP of 10.73, 11 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[4-(dimethylamino)piperidin-1-yl]imidazo[4,5-b]pyridine-3-carboxylate;[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]methanone;methyl 2-bromopyridine-4-carboxylate;methyl 2-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxylate;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159015802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).