(2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide

C17H19N5OS — CID 94045743

IUPAC(2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@@H]1c1ccsc1)c1nnc2ccccn12
InChIInChI=1S/C17H19N5OS/c1-12(16-20-19-15-6-2-3-8-22(15)16)18-17(23)21-9-4-5-14(21)13-7-10-24-11-13/h2-3,6-8,10-12,14H,4-5,9H2,1H3,(H,18,23)/t12-,14-/m1/s1
InChIKeyQJNSQHSCNJFMQI-TZMCWYRMSA-N
MW341.44 g/mol
LogP3.40
Rot. Bonds3

About (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide

(2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 94045743) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID94045743
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@@H]1c1ccsc1)c1nnc2ccccn12
InChIInChI=1S/C17H19N5OS/c1-12(16-20-19-15-6-2-3-8-22(15)16)18-17(23)21-9-4-5-14(21)13-7-10-24-11-13/h2-3,6-8,10-12,14H,4-5,9H2,1H3,(H,18,23)/t12-,14-/m1/s1
InChIKeyQJNSQHSCNJFMQI-TZMCWYRMSA-N
XLogP3.40
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide (CID 94045743) is (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide is C[C@@H](NC(=O)N1CCC[C@@H]1c1ccsc1)c1nnc2ccccn12.
What is the InChIKey of (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is QJNSQHSCNJFMQI-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12(16-20-19-15-6-2-3-8-22(15)16)18-17(23)21-9-4-5-14(21)13-7-10-24-11-13/h2-3,6-8,10-12,14H,4-5,9H2,1H3,(H,18,23)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide?
(2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94045743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).