1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

C21H18N6O2S — CID 135887154

IUPAC1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cccs5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H18N6O2S/c1-12-23-21(29-26-12)18-9-14-8-13(5-6-16(14)24-18)19-10-17(25-27(19)2)20(28)22-11-15-4-3-7-30-15/h3-10,24H,11H2,1-2H3,(H,22,28)
InChIKeyFGNVAXIAYXXQHO-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.92
Rot. Bonds5

About 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 135887154) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID135887154
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cccs5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H18N6O2S/c1-12-23-21(29-26-12)18-9-14-8-13(5-6-16(14)24-18)19-10-17(25-27(19)2)20(28)22-11-15-4-3-7-30-15/h3-10,24H,11H2,1-2H3,(H,22,28)
InChIKeyFGNVAXIAYXXQHO-UHFFFAOYSA-N
XLogP3.92
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide 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-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (CID 135887154) is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cccs5)nn4C)ccc3[nH]2)n1.
What is the InChIKey of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is FGNVAXIAYXXQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S/c1-12-23-21(29-26-12)18-9-14-8-13(5-6-16(14)24-18)19-10-17(25-27(19)2)20(28)22-11-15-4-3-7-30-15/h3-10,24H,11H2,1-2H3,(H,22,28).
What are the key properties of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 135887154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).