2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide

C19H13FN4O2 — CID 54771575

IUPAC2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
SMILESC1=CN(N=C1)C2=CC=C(C=C2)NC(=O)C(=O)C3=CNC4=C3C=CC(=C4)F
InChIInChI=1S/C19H13FN4O2/c20-12-2-7-15-16(11-21-17(15)10-12)18(25)19(26)23-13-3-5-14(6-4-13)24-9-1-8-22-24/h1-11,21H,(H,23,26)
InChIKeyKGGVQKGNOZHMPX-UHFFFAOYSA-N
MW348.30 g/mol
LogP2.80
Rot. Bonds4

About 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide

2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 54771575) has the molecular formula C19H13FN4O2 and a molecular weight of 348.30 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID54771575
Molecular FormulaC19H13FN4O2
Molecular Weight348.30 g/mol
Exact Mass348.10
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
SMILESC1=CN(N=C1)C2=CC=C(C=C2)NC(=O)C(=O)C3=CNC4=C3C=CC(=C4)F
InChIInChI=1S/C19H13FN4O2/c20-12-2-7-15-16(11-21-17(15)10-12)18(25)19(26)23-13-3-5-14(6-4-13)24-9-1-8-22-24/h1-11,21H,(H,23,26)
InChIKeyKGGVQKGNOZHMPX-UHFFFAOYSA-N
XLogP2.80
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity538

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide (CID 54771575) is 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide is C1=CN(N=C1)C2=CC=C(C=C2)NC(=O)C(=O)C3=CNC4=C3C=CC(=C4)F.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is KGGVQKGNOZHMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-12-2-7-15-16(11-21-17(15)10-12)18(25)19(26)23-13-3-5-14(6-4-13)24-9-1-8-22-24/h1-11,21H,(H,23,26).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide?
2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 348.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 54771575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).