1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

C26H20FN5O2S — CID 18569298

IUPAC1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCc1nnc(-c2cc3ccccc3n2CC(=O)N2N=C(c3cccs3)CC2c2ccc(F)cc2)o1
InChIInChI=1S/C26H20FN5O2S/c1-16-28-29-26(34-16)23-13-18-5-2-3-6-21(18)31(23)15-25(33)32-22(17-8-10-19(27)11-9-17)14-20(30-32)24-7-4-12-35-24/h2-13,22H,14-15H2,1H3
InChIKeyRACBTRCFYIOUTR-UHFFFAOYSA-N
MW485.54 g/mol
LogP5.58
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (PubChem CID 18569298) has the molecular formula C26H20FN5O2S and a molecular weight of 485.54 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID18569298
Molecular FormulaC26H20FN5O2S
Molecular Weight485.54 g/mol
Exact Mass485.13
IUPAC Name1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCc1nnc(-c2cc3ccccc3n2CC(=O)N2N=C(c3cccs3)CC2c2ccc(F)cc2)o1
InChIInChI=1S/C26H20FN5O2S/c1-16-28-29-26(34-16)23-13-18-5-2-3-6-21(18)31(23)15-25(33)32-22(17-8-10-19(27)11-9-17)14-20(30-32)24-7-4-12-35-24/h2-13,22H,14-15H2,1H3
InChIKeyRACBTRCFYIOUTR-UHFFFAOYSA-N
XLogP5.58
TPSA76.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 651808
4-[2-(2,3-Dihydro-indol-1-yl)-2-oxo-ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 648405
Ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 650283
2-[[2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 4788904
2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole
CID 26842280
2-(4-Methylthieno[3,2-b]pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 156020935
N-(2-fluorophenyl)-2-{[5-(1-methyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CID 46266311
ethyl 2-(2-(2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CID 16835945
2-[2-(5-Ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-morpholin-4-ylethanone
CID 16896703
1-(indolin-1-yl)-2-(2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)ethanone
CID 18569257
1-(5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)ethanone
CID 18569299
N-allyl-2-(2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)acetamide
CID 26842288

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 18569298) is 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is Cc1nnc(-c2cc3ccccc3n2CC(=O)N2N=C(c3cccs3)CC2c2ccc(F)cc2)o1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The InChIKey is RACBTRCFYIOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2S/c1-16-28-29-26(34-16)23-13-18-5-2-3-6-21(18)31(23)15-25(33)32-22(17-8-10-19(27)11-9-17)14-20(30-32)24-7-4-12-35-24/h2-13,22H,14-15H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone has a molecular weight of 485.54 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 18569298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).