4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C23H24N4O2 — CID 67090406

IUPAC4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C23H24N4O2/c28-22-7-3-15-27(22)16-4-14-24-23(29)18-11-8-17(9-12-18)10-13-21-19-5-1-2-6-20(19)25-26-21/h1-2,5-6,8-13H,3-4,7,14-16H2,(H,24,29)(H,25,26)/b13-10+
InChIKeyNYKIFGICMZWUBB-JLHYYAGUSA-N
MW388.47 g/mol
LogP3.48
Rot. Bonds7

About 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 67090406) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID67090406
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C23H24N4O2/c28-22-7-3-15-27(22)16-4-14-24-23(29)18-11-8-17(9-12-18)10-13-21-19-5-1-2-6-20(19)25-26-21/h1-2,5-6,8-13H,3-4,7,14-16H2,(H,24,29)(H,25,26)/b13-10+
InChIKeyNYKIFGICMZWUBB-JLHYYAGUSA-N
XLogP3.48
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 135750628
4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide
CID 67090200
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone
CID 67089995
tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
CID 145482017
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
1-oxido-N-[3-(2-oxoazepan-1-yl)propyl]pyridin-1-ium-4-carboxamide
CID 134025902
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 67090406) is 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is O=C(NCCCN1CCCC1=O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is NYKIFGICMZWUBB-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22-7-3-15-27(22)16-4-14-24-23(29)18-11-8-17(9-12-18)10-13-21-19-5-1-2-6-20(19)25-26-21/h1-2,5-6,8-13H,3-4,7,14-16H2,(H,24,29)(H,25,26)/b13-10+.
What are the key properties of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 67090406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).