7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C21H28N6O3 — CID 18765480

About 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 18765480) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
• PubChem CID: 18765480
• Molecular Formula: C21H28N6O3
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.22
• IUPAC Name: 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
• SMILES: COc1cccc2c(C(=O)NCCc3cncn3C)nn(CCN3CCOCC3)c12
• InChI: InChI=1S/C21H28N6O3/c1-25-15-22-14-16(25)6-7-23-21(28)19-17-4-3-5-18(29-2)20(17)27(24-19)9-8-26-10-12-30-13-11-26/h3-5,14-15H,6-13H2,1-2H3,(H,23,28)
• InChIKey: CUEQMKKINXJIBN-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 86.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?

The IUPAC name of 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 18765480) is 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

What is the SMILES notation for 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?

The canonical SMILES for 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)NCCc3cncn3C)nn(CCN3CCOCC3)c12.

What is the InChIKey of 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?

The InChIKey is CUEQMKKINXJIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-25-15-22-14-16(25)6-7-23-21(28)19-17-4-3-5-18(29-2)20(17)27(24-19)9-8-26-10-12-30-13-11-26/h3-5,14-15H,6-13H2,1-2H3,(H,23,28).

What are the key properties of 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?

7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 18765480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).