2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide

C25H24N4O3 — CID 177233153

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide (PubChem CID 177233153) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
• PubChem CID: 177233153
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
• SMILES: CN(C)c1cccc(-c2ccc3[nH]nc(NC(=O)Cc4ccc5c(c4)OCCO5)c3c2)c1
• InChI: InChI=1S/C25H24N4O3/c1-29(2)19-5-3-4-17(14-19)18-7-8-21-20(15-18)25(28-27-21)26-24(30)13-16-6-9-22-23(12-16)32-11-10-31-22/h3-9,12,14-15H,10-11,13H2,1-2H3,(H2,26,27,28,30)
• InChIKey: IIVFDANQBQSHMQ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide?

The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide (CID 177233153) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide.

What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide?

The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide is CN(C)c1cccc(-c2ccc3[nH]nc(NC(=O)Cc4ccc5c(c4)OCCO5)c3c2)c1.

What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide?

The InChIKey is IIVFDANQBQSHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-29(2)19-5-3-4-17(14-19)18-7-8-21-20(15-18)25(28-27-21)26-24(30)13-16-6-9-22-23(12-16)32-11-10-31-22/h3-9,12,14-15H,10-11,13H2,1-2H3,(H2,26,27,28,30).

What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide?

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 177233153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).