5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C80H99B3Br2Cl2N14O8 — CID 158219307

About 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 158219307) has the molecular formula C80H99B3Br2Cl2N14O8 and a molecular weight of 1647.91 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• PubChem CID: 158219307
• Molecular Formula: C80H99B3Br2Cl2N14O8
• Molecular Weight: 1647.91 g/mol
• Exact Mass: 1644.58
• IUPAC Name: 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• SMILES: Brc1ccc2c(c1)CNC2.CC(C)(C)OC(=O)n1ncc2cc(Nc3ccnc(Cl)n3)ccc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1.CN1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.CN1Cc2ccc(Br)cc2C1.Cl
• InChI: InChI=1S/C20H18N6.C16H16ClN5O2.C15H22BNO2.C12H24B2O4.C9H10BrN.C8H8BrN.ClH/c1-26-11-14-3-2-13(8-16(14)12-26)20-21-7-6-19(24-20)23-17-4-5-18-15(9-17)10-22-25-18;1-16(2,3)24-15(23)22-12-5-4-11(8-10(12)9-19-22)20-13-6-7-18-14(17)21-13;1-14(2)15(3,4)19-16(18-14)13-7-6-11-9-17(5)10-12(11)8-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11-5-7-2-3-9(10)4-8(7)6-11;9-8-2-1-6-4-10-5-7(6)3-8;/h2-10H,11-12H2,1H3,(H,22,25)(H,21,23,24);4-9H,1-3H3,(H,18,20,21);6-8H,9-10H2,1-5H3;1-8H3;2-4H,5-6H2,1H3;1-3,10H,4-5H2;1H
• InChIKey: HQHKEMPWCNJUBL-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 225.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.91
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The IUPAC name of 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 158219307) is 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

What is the SMILES notation for 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The canonical SMILES for 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is Brc1ccc2c(c1)CNC2.CC(C)(C)OC(=O)n1ncc2cc(Nc3ccnc(Cl)n3)ccc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1.CN1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.CN1Cc2ccc(Br)cc2C1.Cl.

What is the InChIKey of 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The InChIKey is HQHKEMPWCNJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6.C16H16ClN5O2.C15H22BNO2.C12H24B2O4.C9H10BrN.C8H8BrN.ClH/c1-26-11-14-3-2-13(8-16(14)12-26)20-21-7-6-19(24-20)23-17-4-5-18-15(9-17)10-22-25-18;1-16(2,3)24-15(23)22-12-5-4-11(8-10(12)9-19-22)20-13-6-7-18-14(17)21-13;1-14(2)15(3,4)19-16(18-14)13-7-6-11-9-17(5)10-12(11)8-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11-5-7-2-3-9(10)4-8(7)6-11;9-8-2-1-6-4-10-5-7(6)3-8;/h2-10H,11-12H2,1H3,(H,22,25)(H,21,23,24);4-9H,1-3H3,(H,18,20,21);6-8H,9-10H2,1-5H3;1-8H3;2-4H,5-6H2,1H3;1-3,10H,4-5H2;1H.

What are the key properties of 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 1647.91 g/mol, XLogP of 16.76, 7 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 158219307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).