6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine

C₁₁₅H₁₄₁BBr₂Cl₄N₃₀O₁₀ — CID 159638216

About 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine

6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine (PubChem CID 159638216) has the molecular formula C₁₁₅H₁₄₁BBr₂Cl₄N₃₀O₁₀ and a molecular weight of 2416.02 g/mol. Its IUPAC name is 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine
• PubChem CID: 159638216
• Molecular Formula: C₁₁₅H₁₄₁BBr₂Cl₄N₃₀O₁₀
• Molecular Weight: 2416.02 g/mol
• Exact Mass: 2410.87
• IUPAC Name: 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine
• SMILES: Brc1ccc2cn[nH]c2c1.Brc1ccc2cnn(CCN3CCOCC3)c2c1.CC1(C)OB(c2ccc3cnn(CCN4CCOCC4)c3c2)OC1(C)C.CC1=NN=C(c2ccc(N)cc2)C1.CC1=NN=C(c2ccc(Nc3cc(-c4ccc5cnn(CCN6CCOCC6)c5c4)nc(N4CCOCC4)n3)cc2)C1.ClCCN1CCOCC1.Clc1cc(-c2ccc3cnn(CCN4CCOCC4)c3c2)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1
• InChI: InChI=1S/C31H35N9O2.C21H25ClN6O2.C19H28BN3O3.C13H16BrN3O.C10H11N3.C8H9Cl2N3O.C7H5BrN2.C6H12ClNO/c1-22-18-28(37-36-22)23-4-6-26(7-5-23)33-30-20-27(34-31(35-30)39-12-16-42-17-13-39)24-2-3-25-21-32-40(29(25)19-24)9-8-38-10-14-41-15-11-38;22-20-14-18(24-21(25-20)27-7-11-30-12-8-27)16-1-2-17-15-23-28(19(17)13-16)4-3-26-5-9-29-10-6-26;1-18(2)19(3,4)26-20(25-18)16-6-5-15-14-21-23(17(15)13-16)8-7-22-9-11-24-12-10-22;14-12-2-1-11-10-15-17(13(11)9-12)4-3-16-5-7-18-8-6-16;1-7-6-10(13-12-7)8-2-4-9(11)5-3-8;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;8-6-2-1-5-4-9-10-7(5)3-6;7-1-2-8-3-5-9-6-4-8/h2-7,19-21H,8-18H2,1H3,(H,33,34,35);1-2,13-15H,3-12H2;5-6,13-14H,7-12H2,1-4H3;1-2,9-10H,3-8H2;2-5H,6,11H2,1H3;5H,1-4H2;1-4H,(H,9,10);1-6H2
• InChIKey: MPZXFQHRDGEBKE-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 383.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2416.02
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', '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 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine?

The IUPAC name of 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine (CID 159638216) is 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine.

What is the SMILES notation for 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine?

The canonical SMILES for 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine is Brc1ccc2cn[nH]c2c1.Brc1ccc2cnn(CCN3CCOCC3)c2c1.CC1(C)OB(c2ccc3cnn(CCN4CCOCC4)c3c2)OC1(C)C.CC1=NN=C(c2ccc(N)cc2)C1.CC1=NN=C(c2ccc(Nc3cc(-c4ccc5cnn(CCN6CCOCC6)c5c4)nc(N4CCOCC4)n3)cc2)C1.ClCCN1CCOCC1.Clc1cc(-c2ccc3cnn(CCN4CCOCC4)c3c2)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.

What is the InChIKey of 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine?

The InChIKey is MPZXFQHRDGEBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N9O2.C21H25ClN6O2.C19H28BN3O3.C13H16BrN3O.C10H11N3.C8H9Cl2N3O.C7H5BrN2.C6H12ClNO/c1-22-18-28(37-36-22)23-4-6-26(7-5-23)33-30-20-27(34-31(35-30)39-12-16-42-17-13-39)24-2-3-25-21-32-40(29(25)19-24)9-8-38-10-14-41-15-11-38;22-20-14-18(24-21(25-20)27-7-11-30-12-8-27)16-1-2-17-15-23-28(19(17)13-16)4-3-26-5-9-29-10-6-26;1-18(2)19(3,4)26-20(25-18)16-6-5-15-14-21-23(17(15)13-16)8-7-22-9-11-24-12-10-22;14-12-2-1-11-10-15-17(13(11)9-12)4-3-16-5-7-18-8-6-16;1-7-6-10(13-12-7)8-2-4-9(11)5-3-8;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;8-6-2-1-5-4-9-10-7(5)3-6;7-1-2-8-3-5-9-6-4-8/h2-7,19-21H,8-18H2,1H3,(H,33,34,35);1-2,13-15H,3-12H2;5-6,13-14H,7-12H2,1-4H3;1-2,9-10H,3-8H2;2-5H,6,11H2,1H3;5H,1-4H2;1-4H,(H,9,10);1-6H2.

What are the key properties of 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine?

6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine has a molecular weight of 2416.02 g/mol, XLogP of 16.43, 24 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 159638216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159638216 — identifiers, structure, computed properties (public domain)

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