N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide

C22H21FN4O2 — CID 46997969

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCc1ccc2c(c1)C(CC(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C22H21FN4O2/c1-13-3-8-19-17(9-13)18(22(29)25-19)10-20(28)27(2)12-15-11-24-26-21(15)14-4-6-16(23)7-5-14/h3-9,11,18H,10,12H2,1-2H3,(H,24,26)(H,25,29)
InChIKeyILWUCKYJUGFFLG-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.61
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 46997969) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID46997969
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCc1ccc2c(c1)C(CC(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C22H21FN4O2/c1-13-3-8-19-17(9-13)18(22(29)25-19)10-20(28)27(2)12-15-11-24-26-21(15)14-4-6-16(23)7-5-14/h3-9,11,18H,10,12H2,1-2H3,(H,24,26)(H,25,29)
InChIKeyILWUCKYJUGFFLG-UHFFFAOYSA-N
XLogP3.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 46997969) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide is Cc1ccc2c(c1)C(CC(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)N2.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is ILWUCKYJUGFFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-13-3-8-19-17(9-13)18(22(29)25-19)10-20(28)27(2)12-15-11-24-26-21(15)14-4-6-16(23)7-5-14/h3-9,11,18H,10,12H2,1-2H3,(H,24,26)(H,25,29).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 46997969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).