1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C22H19FN4O3S — CID 101238513

IUPAC1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCN1C(=O)C2(SCC(=O)N2c2cn(C)n(-c3ccccc3)c2=O)c2cc(F)ccc21
InChIInChI=1S/C22H19FN4O3S/c1-3-25-17-10-9-14(23)11-16(17)22(21(25)30)26(19(28)13-31-22)18-12-24(2)27(20(18)29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
InChIKeyKNAQWTZYIQMDNY-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.61
Rot. Bonds3

About 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 101238513) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID101238513
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC Name1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCN1C(=O)C2(SCC(=O)N2c2cn(C)n(-c3ccccc3)c2=O)c2cc(F)ccc21
InChIInChI=1S/C22H19FN4O3S/c1-3-25-17-10-9-14(23)11-16(17)22(21(25)30)26(19(28)13-31-22)18-12-24(2)27(20(18)29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
InChIKeyKNAQWTZYIQMDNY-UHFFFAOYSA-N
XLogP2.61
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 11607635
(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42558804
3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922117
N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 41198215
1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714351
3-(3,5-dimethoxyphenyl)-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922167
1'-ethyl-5'-fluoro-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015085
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 7245556
(2S)-1'-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 40660267
1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015277
N-(2,4-difluorophenyl)-2-[(2R)-3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608204
3-(4-bromophenyl)-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922181

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 101238513) is 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CCN1C(=O)C2(SCC(=O)N2c2cn(C)n(-c3ccccc3)c2=O)c2cc(F)ccc21.
What is the InChIKey of 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is KNAQWTZYIQMDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-3-25-17-10-9-14(23)11-16(17)22(21(25)30)26(19(28)13-31-22)18-12-24(2)27(20(18)29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3.
What are the key properties of 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 438.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5'-fluoro-3-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 101238513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).