N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide

C23H21FN4O3 — CID 45029299

IUPACN-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide
SMILESCCn1nccc1NC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2cccc(OC)c12
InChIInChI=1S/C23H21FN4O3/c1-3-28-20(11-12-25-28)26-23(30)22(29)17-14-27(13-15-7-9-16(24)10-8-15)18-5-4-6-19(31-2)21(17)18/h4-12,14H,3,13H2,1-2H3,(H,26,30)
InChIKeyJMGLJHBLXOZGED-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.88
Rot. Bonds7

About N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide

N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide (PubChem CID 45029299) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide
PubChem CID45029299
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide
SMILESCCn1nccc1NC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2cccc(OC)c12
InChIInChI=1S/C23H21FN4O3/c1-3-28-20(11-12-25-28)26-23(30)22(29)17-14-27(13-15-7-9-16(24)10-8-15)18-5-4-6-19(31-2)21(17)18/h4-12,14H,3,13H2,1-2H3,(H,26,30)
InChIKeyJMGLJHBLXOZGED-UHFFFAOYSA-N
XLogP3.88
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide (CID 45029299) is N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide is CCn1nccc1NC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2cccc(OC)c12.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide?
The InChIKey is JMGLJHBLXOZGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-3-28-20(11-12-25-28)26-23(30)22(29)17-14-27(13-15-7-9-16(24)10-8-15)18-5-4-6-19(31-2)21(17)18/h4-12,14H,3,13H2,1-2H3,(H,26,30).
What are the key properties of N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide?
N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide has a molecular weight of 420.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 45029299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).