7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride

C127H160BBrClN27O11 — CID 167596477

About 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride

7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride (PubChem CID 167596477) has the molecular formula C127H160BBrClN27O11 and a molecular weight of 2367.02 g/mol. Its IUPAC name is 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride.

Molecular Properties

• Compound Name: 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride
• PubChem CID: 167596477
• Molecular Formula: C127H160BBrClN27O11
• Molecular Weight: 2367.02 g/mol
• Exact Mass: 2364.18
• IUPAC Name: 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC1CCCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC(C)(C)c1noc(C(=O)O)n1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5CC(=O)OC(C)(C)C)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5N)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(Br)c3[nH]2)cnn1C(C)C.Cl
• InChI: InChI=1S/C31H36N8O2.C30H37N5O2.C24H28N6.C22H34BNO4.C13H14BrN5.C7H10N2O3.ClH/c1-17(2)39-18(3)23(16-33-39)26-35-25-22(13-14-32-27(25)36-26)20-11-12-21-19(15-20)9-7-8-10-24(21)34-29(40)28-37-30(41-38-28)31(4,5)6;1-18(2)35-19(3)25(17-32-35)28-33-27-24(13-14-31-29(27)34-28)22-11-12-23-20(15-22)9-7-8-10-21(23)16-26(36)37-30(4,5)6;1-14(2)30-15(3)20(13-27-30)23-28-22-19(10-11-26-24(22)29-23)17-8-9-18-16(12-17)6-4-5-7-21(18)25;1-20(2,3)26-19(25)24-18-11-9-8-10-15-14-16(12-13-17(15)18)23-27-21(4,5)22(6,7)28-23;1-7(2)19-8(3)9(6-16-19)12-17-11-10(14)4-5-15-13(11)18-12;1-7(2,3)6-8-4(5(10)11)12-9-6;/h11-17,24H,7-10H2,1-6H3,(H,34,40)(H,32,35,36);11-15,17-18,21H,7-10,16H2,1-6H3,(H,31,33,34);8-14,21H,4-7,25H2,1-3H3,(H,26,28,29);12-14,18H,8-11H2,1-7H3,(H,24,25);4-7H,1-3H3,(H,15,17,18);1-3H3,(H,10,11);1H
• InChIKey: KUVKVIGCSGYITR-UHFFFAOYSA-N
• XLogP: 27.52
• TPSA: 490.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.02
LogP ≤ 5	27.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride?

The IUPAC name of 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride (CID 167596477) is 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride.

What is the SMILES notation for 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride?

The canonical SMILES for 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride is CC(C)(C)OC(=O)NC1CCCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC(C)(C)c1noc(C(=O)O)n1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5CC(=O)OC(C)(C)C)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5N)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(Br)c3[nH]2)cnn1C(C)C.Cl.

What is the InChIKey of 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride?

The InChIKey is KUVKVIGCSGYITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O2.C30H37N5O2.C24H28N6.C22H34BNO4.C13H14BrN5.C7H10N2O3.ClH/c1-17(2)39-18(3)23(16-33-39)26-35-25-22(13-14-32-27(25)36-26)20-11-12-21-19(15-20)9-7-8-10-24(21)34-29(40)28-37-30(41-38-28)31(4,5)6;1-18(2)35-19(3)25(17-32-35)28-33-27-24(13-14-31-29(27)34-28)22-11-12-23-20(15-22)9-7-8-10-21(23)16-26(36)37-30(4,5)6;1-14(2)30-15(3)20(13-27-30)23-28-22-19(10-11-26-24(22)29-23)17-8-9-18-16(12-17)6-4-5-7-21(18)25;1-20(2,3)26-19(25)24-18-11-9-8-10-15-14-16(12-13-17(15)18)23-27-21(4,5)22(6,7)28-23;1-7(2)19-8(3)9(6-16-19)12-17-11-10(14)4-5-15-13(11)18-12;1-7(2,3)6-8-4(5(10)11)12-9-6;/h11-17,24H,7-10H2,1-6H3,(H,34,40)(H,32,35,36);11-15,17-18,21H,7-10,16H2,1-6H3,(H,31,33,34);8-14,21H,4-7,25H2,1-3H3,(H,26,28,29);12-14,18H,8-11H2,1-7H3,(H,24,25);4-7H,1-3H3,(H,15,17,18);1-3H3,(H,10,11);1H.

What are the key properties of 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride?

7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride has a molecular weight of 2367.02 g/mol, XLogP of 27.52, 18 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;tert-butyl 2-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetate;5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate;2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride is sourced from PubChem (CID 167596477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).