6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid

C73H76Br4FN15O6 — CID 159143320

About 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid

6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 159143320) has the molecular formula C73H76Br4FN15O6 and a molecular weight of 1598.12 g/mol. Its IUPAC name is 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid
• PubChem CID: 159143320
• Molecular Formula: C73H76Br4FN15O6
• Molecular Weight: 1598.12 g/mol
• Exact Mass: 1593.28
• IUPAC Name: 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid
• SMILES: Brc1ccc2c(c1)CN=C2.Cn1cc2ccc(Br)cc2n1.Cn1ncc2ccc(Br)cc21.Cn1ncc2ccc(Br)cc21.Cn1ncc2ccc(N3CC[C@@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4cc(F)c5c(c4)OCCO5)C3)cc21.Cn1ncc2ccc(N3CC[C@@H](C(=O)O)C3)cc21
• InChI: InChI=1S/C28H34FN5O4.C13H15N3O2.3C8H7BrN2.C8H6BrN/c1-32-24-14-21(5-4-18(24)15-30-32)34-9-6-19(16-34)28(36)31-23(17-33-7-2-3-8-33)26(35)20-12-22(29)27-25(13-20)37-10-11-38-27;1-15-12-6-11(3-2-9(12)7-14-15)16-5-4-10(8-16)13(17)18;1-11-5-6-2-3-7(9)4-8(6)10-11;2*1-11-8-4-7(9)3-2-6(8)5-10-11;9-8-2-1-6-4-10-5-7(6)3-8/h4-5,12-15,19,23,26,35H,2-3,6-11,16-17H2,1H3,(H,31,36);2-3,6-7,10H,4-5,8H2,1H3,(H,17,18);3*2-5H,1H3;1-4H,5H2/t19-,23-,26-;10-;;;;/m11..../s1
• InChIKey: KIJDAECAMHGGTM-LHDPJMORSA-N
• XLogP: 13.50
• TPSA: 216.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1598.12
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid?

The IUPAC name of 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid (CID 159143320) is 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid.

What is the SMILES notation for 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid?

The canonical SMILES for 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid is Brc1ccc2c(c1)CN=C2.Cn1cc2ccc(Br)cc2n1.Cn1ncc2ccc(Br)cc21.Cn1ncc2ccc(Br)cc21.Cn1ncc2ccc(N3CC[C@@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4cc(F)c5c(c4)OCCO5)C3)cc21.Cn1ncc2ccc(N3CC[C@@H](C(=O)O)C3)cc21.

What is the InChIKey of 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid?

The InChIKey is KIJDAECAMHGGTM-LHDPJMORSA-N. The full InChI is InChI=1S/C28H34FN5O4.C13H15N3O2.3C8H7BrN2.C8H6BrN/c1-32-24-14-21(5-4-18(24)15-30-32)34-9-6-19(16-34)28(36)31-23(17-33-7-2-3-8-33)26(35)20-12-22(29)27-25(13-20)37-10-11-38-27;1-15-12-6-11(3-2-9(12)7-14-15)16-5-4-10(8-16)13(17)18;1-11-5-6-2-3-7(9)4-8(6)10-11;2*1-11-8-4-7(9)3-2-6(8)5-10-11;9-8-2-1-6-4-10-5-7(6)3-8/h4-5,12-15,19,23,26,35H,2-3,6-11,16-17H2,1H3,(H,31,36);2-3,6-7,10H,4-5,8H2,1H3,(H,17,18);3*2-5H,1H3;1-4H,5H2/t19-,23-,26-;10-;;;;/m11..../s1.

What are the key properties of 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid?

6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 1598.12 g/mol, XLogP of 13.50, 9 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-isoindole;bis(6-bromo-1-methylindazole);6-bromo-2-methylindazole;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 159143320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).