Skip to content

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide

C26H25N3O3 — CID 177233021

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCCO2)Nc1n[nH]c2ccc(CCc3ccccc3)cc12
InChIInChI=1S/C26H25N3O3/c30-25(17-20-10-12-23-24(16-20)32-14-4-13-31-23)27-26-21-15-19(9-11-22(21)28-29-26)8-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,15-16H,4,7-8,13-14,17H2,(H2,27,28,29,30)
InChIKeyBSDATVRWALVWDN-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.69
Rot. Bonds6

About 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide (PubChem CID 177233021) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
PubChem CID177233021
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCCO2)Nc1n[nH]c2ccc(CCc3ccccc3)cc12
InChIInChI=1S/C26H25N3O3/c30-25(17-20-10-12-23-24(16-20)32-14-4-13-31-23)27-26-21-15-19(9-11-22(21)28-29-26)8-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,15-16H,4,7-8,13-14,17H2,(H2,27,28,29,30)
InChIKeyBSDATVRWALVWDN-UHFFFAOYSA-N
XLogP4.69
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide (CID 177233021) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide is O=C(Cc1ccc2c(c1)OCCCO2)Nc1n[nH]c2ccc(CCc3ccccc3)cc12.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide?
The InChIKey is BSDATVRWALVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-25(17-20-10-12-23-24(16-20)32-14-4-13-31-23)27-26-21-15-19(9-11-22(21)28-29-26)8-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,15-16H,4,7-8,13-14,17H2,(H2,27,28,29,30).
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 177233021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.