2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid

C82H93N11O9 — CID 157253041

About 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid

2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid (PubChem CID 157253041) has the molecular formula C82H93N11O9 and a molecular weight of 1376.71 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
• PubChem CID: 157253041
• Molecular Formula: C82H93N11O9
• Molecular Weight: 1376.71 g/mol
• Exact Mass: 1375.72
• IUPAC Name: 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.O=C(O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1
• InChI: InChI=1S/C35H40N4O4.C30H32N4O2.C17H21N3O3/c1-35(2,3)43-34(41)36-30-13-11-26(24-7-5-4-6-8-24)21-28(30)23-32(40)27-12-14-31-29(22-27)33(25-9-10-25)37-39(31)16-15-38-17-19-42-20-18-38;31-27-10-8-23(21-4-2-1-3-5-21)18-25(27)20-29(35)24-9-11-28-26(19-24)30(22-6-7-22)32-34(28)13-12-33-14-16-36-17-15-33;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/h4-8,11-14,21-22,25H,9-10,15-20,23H2,1-3H3,(H,36,41);1-5,8-11,18-19,22H,6-7,12-17,20,31H2;3-4,11-12H,1-2,5-10H2,(H,21,22)
• InChIKey: AWODVJCMQNIBLG-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 226.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.71
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?

The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid (CID 157253041) is 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid.

What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?

The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.O=C(O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.

What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?

The InChIKey is AWODVJCMQNIBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O4.C30H32N4O2.C17H21N3O3/c1-35(2,3)43-34(41)36-30-13-11-26(24-7-5-4-6-8-24)21-28(30)23-32(40)27-12-14-31-29(22-27)33(25-9-10-25)37-39(31)16-15-38-17-19-42-20-18-38;31-27-10-8-23(21-4-2-1-3-5-21)18-25(27)20-29(35)24-9-11-28-26(19-24)30(22-6-7-22)32-34(28)13-12-33-14-16-36-17-15-33;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/h4-8,11-14,21-22,25H,9-10,15-20,23H2,1-3H3,(H,36,41);1-5,8-11,18-19,22H,6-7,12-17,20,31H2;3-4,11-12H,1-2,5-10H2,(H,21,22).

What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?

2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid has a molecular weight of 1376.71 g/mol, XLogP of 13.55, 22 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid is sourced from PubChem (CID 157253041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).