6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline

C127H135BBrCl4N45O7 — CID 159235729

About 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline

6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline (PubChem CID 159235729) has the molecular formula C127H135BBrCl4N45O7 and a molecular weight of 2636.31 g/mol. Its IUPAC name is 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline.

Molecular Properties

• Compound Name: 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline
• PubChem CID: 159235729
• Molecular Formula: C127H135BBrCl4N45O7
• Molecular Weight: 2636.31 g/mol
• Exact Mass: 2631.96
• IUPAC Name: 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline
• SMILES: C.CC1=NN=C(c2ccc(N)cc2)C1.CC1=NN=C(c2ccc(Nc3cc(-c4cnc5cnn(C)c5c4)nc(N4CCOCC4)n3)cc2)C1.Clc1cc(Cl)nc(N2CCOCC2)n1.Cn1ncc2ncc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1ncc2ncc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1ncc2ncc(-c3cc(Nc4ccc(C5=NN=CC5)cc4)nc(N4CCOCC4)n3)cc21.Cn1ncc2ncc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1ncc2ncc(Br)cc21.Nc1ccc(C2=NN=CC2)cc1
• InChI: InChI=1S/C25H25N9O.C24H23N9O.2C15H15ClN6O.C13H18BN3O2.C10H11N3.C9H9N3.C8H9Cl2N3O.C7H6BrN3.CH4/c1-16-11-21(32-31-16)17-3-5-19(6-4-17)28-24-13-20(29-25(30-24)34-7-9-35-10-8-34)18-12-23-22(26-14-18)15-27-33(23)2;1-32-22-12-17(14-25-21(22)15-27-32)20-13-23(30-24(29-20)33-8-10-34-11-9-33)28-18-4-2-16(3-5-18)19-6-7-26-31-19;2*1-21-13-6-10(8-17-12(13)9-18-21)11-7-14(16)20-15(19-11)22-2-4-23-5-3-22;1-12(2)13(3,4)19-14(18-12)9-6-11-10(15-7-9)8-16-17(11)5;1-7-6-10(13-12-7)8-2-4-9(11)5-3-8;10-8-3-1-7(2-4-8)9-5-6-11-12-9;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;1-11-7-2-5(8)3-9-6(7)4-10-11;/h3-6,12-15H,7-11H2,1-2H3,(H,28,29,30);2-5,7,12-15H,6,8-11H2,1H3,(H,28,29,30);2*6-9H,2-5H2,1H3;6-8H,1-5H3;2-5H,6,11H2,1H3;1-4,6H,5,10H2;5H,1-4H2;2-4H,1H3;1H4
• InChIKey: KTLHHJONWYIMLX-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 568.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 52
• Rotatable Bonds: 18
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.31
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline?

The IUPAC name of 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline (CID 159235729) is 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline.

What is the SMILES notation for 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline?

The canonical SMILES for 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline is C.CC1=NN=C(c2ccc(N)cc2)C1.CC1=NN=C(c2ccc(Nc3cc(-c4cnc5cnn(C)c5c4)nc(N4CCOCC4)n3)cc2)C1.Clc1cc(Cl)nc(N2CCOCC2)n1.Cn1ncc2ncc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1ncc2ncc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1ncc2ncc(-c3cc(Nc4ccc(C5=NN=CC5)cc4)nc(N4CCOCC4)n3)cc21.Cn1ncc2ncc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1ncc2ncc(Br)cc21.Nc1ccc(C2=NN=CC2)cc1.

What is the InChIKey of 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline?

The InChIKey is KTLHHJONWYIMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O.C24H23N9O.2C15H15ClN6O.C13H18BN3O2.C10H11N3.C9H9N3.C8H9Cl2N3O.C7H6BrN3.CH4/c1-16-11-21(32-31-16)17-3-5-19(6-4-17)28-24-13-20(29-25(30-24)34-7-9-35-10-8-34)18-12-23-22(26-14-18)15-27-33(23)2;1-32-22-12-17(14-25-21(22)15-27-32)20-13-23(30-24(29-20)33-8-10-34-11-9-33)28-18-4-2-16(3-5-18)19-6-7-26-31-19;2*1-21-13-6-10(8-17-12(13)9-18-21)11-7-14(16)20-15(19-11)22-2-4-23-5-3-22;1-12(2)13(3,4)19-14(18-12)9-6-11-10(15-7-9)8-16-17(11)5;1-7-6-10(13-12-7)8-2-4-9(11)5-3-8;10-8-3-1-7(2-4-8)9-5-6-11-12-9;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;1-11-7-2-5(8)3-9-6(7)4-10-11;/h3-6,12-15H,7-11H2,1-2H3,(H,28,29,30);2-5,7,12-15H,6,8-11H2,1H3,(H,28,29,30);2*6-9H,2-5H2,1H3;6-8H,1-5H3;2-5H,6,11H2,1H3;1-4,6H,5,10H2;5H,1-4H2;2-4H,1H3;1H4.

What are the key properties of 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline?

6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline has a molecular weight of 2636.31 g/mol, XLogP of 19.13, 18 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline is sourced from PubChem (CID 159235729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).