5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide

C19H21N5O2S — CID 91947685

IUPAC5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1nnc2ccccn12)C1CCC(=O)N1Cc1cccs1
InChIInChI=1S/C19H21N5O2S/c25-18-9-8-15(24(18)13-14-5-4-12-27-14)19(26)20-10-3-7-17-22-21-16-6-1-2-11-23(16)17/h1-2,4-6,11-12,15H,3,7-10,13H2,(H,20,26)
InChIKeyREDXFWNAWBJGRH-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.03
Rot. Bonds7

About 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide

5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 91947685) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID91947685
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1nnc2ccccn12)C1CCC(=O)N1Cc1cccs1
InChIInChI=1S/C19H21N5O2S/c25-18-9-8-15(24(18)13-14-5-4-12-27-14)19(26)20-10-3-7-17-22-21-16-6-1-2-11-23(16)17/h1-2,4-6,11-12,15H,3,7-10,13H2,(H,20,26)
InChIKeyREDXFWNAWBJGRH-UHFFFAOYSA-N
XLogP2.03
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-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

(2S)-N-[3-(dimethylamino)propyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739080
(2S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739107
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
5-oxo-N-(pyridin-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730999
5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739094
2-methyl-1-(2-thiophen-2-ylethyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111766431
1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70737647
6-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperazine-2-carboxamide
CID 56871360
3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 119069048
(2S)-N-[(4-fluorophenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739130

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide (CID 91947685) is 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide is O=C(NCCCc1nnc2ccccn12)C1CCC(=O)N1Cc1cccs1.
What is the InChIKey of 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is REDXFWNAWBJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-18-9-8-15(24(18)13-14-5-4-12-27-14)19(26)20-10-3-7-17-22-21-16-6-1-2-11-23(16)17/h1-2,4-6,11-12,15H,3,7-10,13H2,(H,20,26).
What are the key properties of 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide?
5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(thiophen-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91947685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).