5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C67H73BBrCl3N14O4 — CID 158045068

About 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158045068) has the molecular formula C67H73BBrCl3N14O4 and a molecular weight of 1335.49 g/mol. Its IUPAC name is 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 158045068
• Molecular Formula: C67H73BBrCl3N14O4
• Molecular Weight: 1335.49 g/mol
• Exact Mass: 1332.43
• IUPAC Name: 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Brc1ccc2nn(CC3CC3)cc2c1.CC1(C)OB(c2ccc3nn(CC4CC4)cc3c2)OC1(C)C.Clc1ccc(Nc2cc(-c3ccc4nn(CC5CC5)cc4c3)nc(N3CCOCC3)n2)cc1.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1
• InChI: InChI=1S/C25H25ClN6O.C17H23BN2O2.C14H14Cl2N4O.C11H11BrN2/c26-20-4-6-21(7-5-20)27-24-14-23(28-25(29-24)31-9-11-33-12-10-31)18-3-8-22-19(13-18)16-32(30-22)15-17-1-2-17;1-16(2)17(3,4)22-18(21-16)14-7-8-15-13(9-14)11-20(19-15)10-12-5-6-12;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;12-10-3-4-11-9(5-10)7-14(13-11)6-8-1-2-8/h3-8,13-14,16-17H,1-2,9-12,15H2,(H,27,28,29);7-9,11-12H,5-6,10H2,1-4H3;1-4,9H,5-8H2,(H,17,18,19);3-5,7-8H,1-2,6H2
• InChIKey: FIUSGTNDFBORFX-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 172.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1335.49
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158045068) is 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Brc1ccc2nn(CC3CC3)cc2c1.CC1(C)OB(c2ccc3nn(CC4CC4)cc3c2)OC1(C)C.Clc1ccc(Nc2cc(-c3ccc4nn(CC5CC5)cc4c3)nc(N3CCOCC3)n2)cc1.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.

What is the InChIKey of 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is FIUSGTNDFBORFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O.C17H23BN2O2.C14H14Cl2N4O.C11H11BrN2/c26-20-4-6-21(7-5-20)27-24-14-23(28-25(29-24)31-9-11-33-12-10-31)18-3-8-22-19(13-18)16-32(30-22)15-17-1-2-17;1-16(2)17(3,4)22-18(21-16)14-7-8-15-13(9-14)11-20(19-15)10-12-5-6-12;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;12-10-3-4-11-9(5-10)7-14(13-11)6-8-1-2-8/h3-8,13-14,16-17H,1-2,9-12,15H2,(H,27,28,29);7-9,11-12H,5-6,10H2,1-4H3;1-4,9H,5-8H2,(H,17,18,19);3-5,7-8H,1-2,6H2.

What are the key properties of 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1335.49 g/mol, XLogP of 14.45, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158045068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).