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

C27H23N5O3S — CID 18569299

IUPAC1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCOc1ccc(C2CC(c3cccs3)=NN2C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1
InChIInChI=1S/C27H23N5O3S/c1-17-28-29-27(35-17)24-14-19-6-3-4-7-22(19)31(24)16-26(33)32-23(18-9-11-20(34-2)12-10-18)15-21(30-32)25-8-5-13-36-25/h3-14,23H,15-16H2,1-2H3
InChIKeyRHLPWHZPVGNILP-UHFFFAOYSA-N
MW497.58 g/mol
LogP5.45
Rot. Bonds6

About 1-[3-(4-methoxyphenyl)-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-methoxyphenyl)-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 18569299) has the molecular formula C27H23N5O3S and a molecular weight of 497.58 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-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-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID18569299
Molecular FormulaC27H23N5O3S
Molecular Weight497.58 g/mol
Exact Mass497.15
IUPAC Name1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCOc1ccc(C2CC(c3cccs3)=NN2C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1
InChIInChI=1S/C27H23N5O3S/c1-17-28-29-27(35-17)24-14-19-6-3-4-7-22(19)31(24)16-26(33)32-23(18-9-11-20(34-2)12-10-18)15-21(30-32)25-8-5-13-36-25/h3-14,23H,15-16H2,1-2H3
InChIKeyRHLPWHZPVGNILP-UHFFFAOYSA-N
XLogP5.45
TPSA85.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-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-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 18569299) is 1-[3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is COc1ccc(C2CC(c3cccs3)=NN2C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-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 RHLPWHZPVGNILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3S/c1-17-28-29-27(35-17)24-14-19-6-3-4-7-22(19)31(24)16-26(33)32-23(18-9-11-20(34-2)12-10-18)15-21(30-32)25-8-5-13-36-25/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-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-methoxyphenyl)-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 497.58 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-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 18569299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).