2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide

C27H23FN4O2 — CID 154858635

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C27H23FN4O2/c1-17(19-9-12-24-20(13-19)14-26(34)30-24)29-25(33)15-21-16-32(23-5-3-2-4-6-23)31-27(21)18-7-10-22(28)11-8-18/h2-13,16-17H,14-15H2,1H3,(H,29,33)(H,30,34)
InChIKeyVMDGALHSLBSWTH-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.59
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide (PubChem CID 154858635) has the molecular formula C27H23FN4O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
PubChem CID154858635
Molecular FormulaC27H23FN4O2
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C27H23FN4O2/c1-17(19-9-12-24-20(13-19)14-26(34)30-24)29-25(33)15-21-16-32(23-5-3-2-4-6-23)31-27(21)18-7-10-22(28)11-8-18/h2-13,16-17H,14-15H2,1H3,(H,29,33)(H,30,34)
InChIKeyVMDGALHSLBSWTH-UHFFFAOYSA-N
XLogP4.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 92866995
N-[1-(aminomethyl)cyclopentyl]-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119566079
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71893219
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-(1-phenylethyl)propanamide
CID 50768256
2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589439
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
CID 166278666
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71891405
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide
CID 24516173
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide (CID 154858635) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide is CC(NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The InChIKey is VMDGALHSLBSWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2/c1-17(19-9-12-24-20(13-19)14-26(34)30-24)29-25(33)15-21-16-32(23-5-3-2-4-6-23)31-27(21)18-7-10-22(28)11-8-18/h2-13,16-17H,14-15H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide has a molecular weight of 454.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide is sourced from PubChem (CID 154858635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).