2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide

C24H20N4O2 — CID 44540310

IUPAC2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C24H20N4O2/c1-2-30-23-9-4-3-6-18(23)24(29)27-21-12-15(13-22-19(21)14-26-28-22)16-7-5-8-20-17(16)10-11-25-20/h3-14,25H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyNZPRDVFEMSJLMD-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.36
Rot. Bonds5

About 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide

2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide (PubChem CID 44540310) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
PubChem CID44540310
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C24H20N4O2/c1-2-30-23-9-4-3-6-18(23)24(29)27-21-12-15(13-22-19(21)14-26-28-22)16-7-5-8-20-17(16)10-11-25-20/h3-14,25H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyNZPRDVFEMSJLMD-UHFFFAOYSA-N
XLogP5.36
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide (CID 44540310) is 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12.
What is the InChIKey of 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The InChIKey is NZPRDVFEMSJLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-2-30-23-9-4-3-6-18(23)24(29)27-21-12-15(13-22-19(21)14-26-28-22)16-7-5-8-20-17(16)10-11-25-20/h3-14,25H,2H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 5.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide is sourced from PubChem (CID 44540310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).