(2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C87H105B2Br3N16O10 — CID 161451713

About (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

(2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161451713) has the molecular formula C87H105B2Br3N16O10 and a molecular weight of 1796.23 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161451713
• Molecular Formula: C87H105B2Br3N16O10
• Molecular Weight: 1796.23 g/mol
• Exact Mass: 1792.59
• IUPAC Name: (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)Nc1ccc(Br)cc1N.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1ccc(-n2cccn2)c(-c2nc3cc(-c4cnc(N)c(CO)c4)ccc3n2C(C)(C)C)c1.COc1ccc(-n2cccn2)c(-c2nc3cc(Br)ccc3n2C(C)(C)C)c1.COc1ccc(-n2cccn2)c(C=O)c1.Nc1ncc(Br)cc1CO
• InChI: InChI=1S/C27H28N6O2.C21H21BrN4O.C12H24B2O4.C11H10N2O2.C10H15BrN2.C6H7BrN2O/c1-27(2,3)33-24-8-6-17(18-12-19(16-34)25(28)29-15-18)13-22(24)31-26(33)21-14-20(35-4)7-9-23(21)32-11-5-10-30-32;1-21(2,3)26-19-8-6-14(22)12-17(19)24-20(26)16-13-15(27-4)7-9-18(16)25-11-5-10-23-25;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-15-10-3-4-11(9(7-10)8-14)13-6-2-5-12-13;1-10(2,3)13-9-5-4-7(11)6-8(9)12;7-5-1-4(3-10)6(8)9-2-5/h5-15,34H,16H2,1-4H3,(H2,28,29);5-13H,1-4H3;1-8H3;2-8H,1H3;4-6,13H,12H2,1-3H3;1-2,10H,3H2,(H2,8,9)
• InChIKey: WAPPXIZXDUTPBQ-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 327.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1796.23
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161451713) is (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)Nc1ccc(Br)cc1N.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1ccc(-n2cccn2)c(-c2nc3cc(-c4cnc(N)c(CO)c4)ccc3n2C(C)(C)C)c1.COc1ccc(-n2cccn2)c(-c2nc3cc(Br)ccc3n2C(C)(C)C)c1.COc1ccc(-n2cccn2)c(C=O)c1.Nc1ncc(Br)cc1CO.

What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is WAPPXIZXDUTPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.C21H21BrN4O.C12H24B2O4.C11H10N2O2.C10H15BrN2.C6H7BrN2O/c1-27(2,3)33-24-8-6-17(18-12-19(16-34)25(28)29-15-18)13-22(24)31-26(33)21-14-20(35-4)7-9-23(21)32-11-5-10-30-32;1-21(2,3)26-19-8-6-14(22)12-17(19)24-20(26)16-13-15(27-4)7-9-18(16)25-11-5-10-23-25;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-15-10-3-4-11(9(7-10)8-14)13-6-2-5-12-13;1-10(2,3)13-9-5-4-7(11)6-8(9)12;7-5-1-4(3-10)6(8)9-2-5/h5-15,34H,16H2,1-4H3,(H2,28,29);5-13H,1-4H3;1-8H3;2-8H,1H3;4-6,13H,12H2,1-3H3;1-2,10H,3H2,(H2,8,9).

What are the key properties of (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

(2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1796.23 g/mol, XLogP of 18.31, 14 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5-bromo-3-pyridinyl)methanol;[2-amino-5-[1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazol-5-yl]-3-pyridinyl]methanol;4-bromo-1-N-tert-butylbenzene-1,2-diamine;5-bromo-1-tert-butyl-2-(5-methoxy-2-pyrazol-1-ylphenyl)benzimidazole;5-methoxy-2-pyrazol-1-ylbenzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161451713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).