N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C21H17FN6O2S — CID 90489297

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C21H17FN6O2S/c22-14-7-4-8-15-18(14)19(26-24-15)28-11-13(10-17(28)29)20(30)23-21-27-25-16(31-21)9-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,24,26)(H,23,27,30)
InChIKeyNYLAVJDRGKPHMB-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.14
Rot. Bonds5

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489297) has the molecular formula C21H17FN6O2S and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489297
Molecular FormulaC21H17FN6O2S
Molecular Weight436.47 g/mol
Exact Mass436.11
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C21H17FN6O2S/c22-14-7-4-8-15-18(14)19(26-24-15)28-11-13(10-17(28)29)20(30)23-21-27-25-16(31-21)9-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,24,26)(H,23,27,30)
InChIKeyNYLAVJDRGKPHMB-UHFFFAOYSA-N
XLogP3.14
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-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

Related Compounds

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754422
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489292
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754255
(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399
N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 71703437
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754418
1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489294
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635
(3R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 41178293
(3S)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97263699
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120937
N-cyclopentyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71700784

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489297) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nnc(Cc2ccccc2)s1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NYLAVJDRGKPHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O2S/c22-14-7-4-8-15-18(14)19(26-24-15)28-11-13(10-17(28)29)20(30)23-21-27-25-16(31-21)9-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,24,26)(H,23,27,30).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).