5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide

C17H23N5O2 — CID 126786172

About 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide (PubChem CID 126786172) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide
• PubChem CID: 126786172
• Molecular Formula: C17H23N5O2
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.19
• IUPAC Name: 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide
• SMILES: CC(C)c1nnc2ccc(NC(=O)C3CC(=O)N(C(C)C)C3)cn12
• InChI: InChI=1S/C17H23N5O2/c1-10(2)16-20-19-14-6-5-13(9-22(14)16)18-17(24)12-7-15(23)21(8-12)11(3)4/h5-6,9-12H,7-8H2,1-4H3,(H,18,24)
• InChIKey: RDLREPMXJBQANZ-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide?

The IUPAC name of 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide (CID 126786172) is 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide is CC(C)c1nnc2ccc(NC(=O)C3CC(=O)N(C(C)C)C3)cn12.

What is the InChIKey of 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide?

The InChIKey is RDLREPMXJBQANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)16-20-19-14-6-5-13(9-22(14)16)18-17(24)12-7-15(23)21(8-12)11(3)4/h5-6,9-12H,7-8H2,1-4H3,(H,18,24).

What are the key properties of 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide?

5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126786172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).