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

C78H91Br3N12O15 — CID 161467565

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

7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate (PubChem CID 161467565) has the molecular formula C78H91Br3N12O15 and a molecular weight of 1676.37 g/mol. Its IUPAC name is 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate.

Molecular Properties

• Compound Name: 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
• PubChem CID: 161467565
• Molecular Formula: C78H91Br3N12O15
• Molecular Weight: 1676.37 g/mol
• Exact Mass: 1672.43
• IUPAC Name: 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
• SMILES: COC(=O)c1cc(Br)c2c(c1)C=NC2.COC(=O)c1cc(Br)c2c(cnn2CCN2CCOCC2)c1.COC(=O)c1cc(C)c(N)c(Br)c1.COC(=O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.COC(=O)c1ccc(N)c(C)c1.O=C(O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1
• InChI: InChI=1S/C18H23N3O3.C17H21N3O3.C15H18BrN3O3.C10H8BrNO2.C9H10BrNO2.C9H11NO2/c1-23-18(22)14-10-15-12-19-21(5-4-20-6-8-24-9-7-20)17(15)16(11-14)13-2-3-13;21-17(22)13-9-14-11-18-20(4-3-19-5-7-23-8-6-19)16(14)15(10-13)12-1-2-12;1-21-15(20)11-8-12-10-17-19(14(12)13(16)9-11)3-2-18-4-6-22-7-5-18;1-14-10(13)6-2-7-4-12-5-8(7)9(11)3-6;1-5-3-6(9(12)13-2)4-7(10)8(5)11;1-6-5-7(9(11)12-2)3-4-8(6)10/h10-13H,2-9H2,1H3;9-12H,1-8H2,(H,21,22);8-10H,2-7H2,1H3;2-4H,5H2,1H3;3-4H,11H2,1-2H3;3-5H,10H2,1-2H3
• InChIKey: WCQJSNVWMMERBM-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 324.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1676.37
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate (CID 161467565) is 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate.

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

The canonical SMILES for 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate is COC(=O)c1cc(Br)c2c(c1)C=NC2.COC(=O)c1cc(Br)c2c(cnn2CCN2CCOCC2)c1.COC(=O)c1cc(C)c(N)c(Br)c1.COC(=O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.COC(=O)c1ccc(N)c(C)c1.O=C(O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.

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

The InChIKey is WCQJSNVWMMERBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.C17H21N3O3.C15H18BrN3O3.C10H8BrNO2.C9H10BrNO2.C9H11NO2/c1-23-18(22)14-10-15-12-19-21(5-4-20-6-8-24-9-7-20)17(15)16(11-14)13-2-3-13;21-17(22)13-9-14-11-18-20(4-3-19-5-7-23-8-6-19)16(14)15(10-13)12-1-2-12;1-21-15(20)11-8-12-10-17-19(14(12)13(16)9-11)3-2-18-4-6-22-7-5-18;1-14-10(13)6-2-7-4-12-5-8(7)9(11)3-6;1-5-3-6(9(12)13-2)4-7(10)8(5)11;1-6-5-7(9(11)12-2)3-4-8(6)10/h10-13H,2-9H2,1H3;9-12H,1-8H2,(H,21,22);8-10H,2-7H2,1H3;2-4H,5H2,1H3;3-4H,11H2,1-2H3;3-5H,10H2,1-2H3.

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

7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate has a molecular weight of 1676.37 g/mol, XLogP of 11.55, 17 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate is sourced from PubChem (CID 161467565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).