3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate

C81H91Br3N12O15 — CID 159293611

About 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate

3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate (PubChem CID 159293611) has the molecular formula C81H91Br3N12O15 and a molecular weight of 1712.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate
• PubChem CID: 159293611
• Molecular Formula: C81H91Br3N12O15
• Molecular Weight: 1712.40 g/mol
• Exact Mass: 1708.43
• IUPAC Name: 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate
• SMILES: C.COC(=O)c1cc(Br)c2c(c1)C=NC2.COC(=O)c1ccc2c(c1)C(Br)=NC2.COC(=O)c1ccc2c(c1)C=NC2.COC(=O)c1ccc2c(c1)c(Br)nn2CCN1CCOCC1.COC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.O=C(O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1
• InChI: InChI=1S/C18H23N3O3.C17H21N3O3.C15H18BrN3O3.2C10H8BrNO2.C10H9NO2.CH4/c1-23-18(22)14-4-5-16-15(12-14)17(13-2-3-13)19-21(16)7-6-20-8-10-24-11-9-20;21-17(22)13-3-4-15-14(11-13)16(12-1-2-12)18-20(15)6-5-19-7-9-23-10-8-19;1-21-15(20)11-2-3-13-12(10-11)14(16)17-19(13)5-4-18-6-8-22-9-7-18;1-14-10(13)6-2-7-4-12-5-8(7)9(11)3-6;1-14-10(13)6-2-3-7-5-12-9(11)8(7)4-6;1-13-10(12)7-2-3-8-5-11-6-9(8)4-7;/h4-5,12-13H,2-3,6-11H2,1H3;3-4,11-12H,1-2,5-10H2,(H,21,22);2-3,10H,4-9H2,1H3;2*2-4H,5H2,1H3;2-4,6H,5H2,1H3;1H4
• InChIKey: LAKZAYQPRXYTRZ-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 296.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.40
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate?

The IUPAC name of 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate (CID 159293611) is 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate.

What is the SMILES notation for 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate?

The canonical SMILES for 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate is C.COC(=O)c1cc(Br)c2c(c1)C=NC2.COC(=O)c1ccc2c(c1)C(Br)=NC2.COC(=O)c1ccc2c(c1)C=NC2.COC(=O)c1ccc2c(c1)c(Br)nn2CCN1CCOCC1.COC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.O=C(O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.

What is the InChIKey of 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate?

The InChIKey is LAKZAYQPRXYTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.C17H21N3O3.C15H18BrN3O3.2C10H8BrNO2.C10H9NO2.CH4/c1-23-18(22)14-4-5-16-15(12-14)17(13-2-3-13)19-21(16)7-6-20-8-10-24-11-9-20;21-17(22)13-3-4-15-14(11-13)16(12-1-2-12)18-20(15)6-5-19-7-9-23-10-8-19;1-21-15(20)11-2-3-13-12(10-11)14(16)17-19(13)5-4-18-6-8-22-9-7-18;1-14-10(13)6-2-7-4-12-5-8(7)9(11)3-6;1-14-10(13)6-2-3-7-5-12-9(11)8(7)4-6;1-13-10(12)7-2-3-8-5-11-6-9(8)4-7;/h4-5,12-13H,2-3,6-11H2,1H3;3-4,11-12H,1-2,5-10H2,(H,21,22);2-3,10H,4-9H2,1H3;2*2-4H,5H2,1H3;2-4,6H,5H2,1H3;1H4.

What are the key properties of 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate?

3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate has a molecular weight of 1712.40 g/mol, XLogP of 12.23, 17 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methane;methyl 3-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 1H-isoindole-5-carboxylate is sourced from PubChem (CID 159293611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).