5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide

C24H22N10OS — CID 118159068

About 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide

5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 118159068) has the molecular formula C24H22N10OS and a molecular weight of 498.58 g/mol. Its IUPAC name is 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 118159068
• Molecular Formula: C24H22N10OS
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.17
• IUPAC Name: 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
• SMILES: N#CC1CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1
• InChI: InChI=1S/C24H22N10OS/c25-6-14-8-32(9-14)20-7-26-17(5-19(20)33-10-18(27-12-33)15-1-2-15)23(35)29-21-11-36-24(30-21)22-31-28-13-34(22)16-3-4-16/h5,7,10-16H,1-4,8-9H2,(H,29,35)
• InChIKey: UTWWORAHCAYQGO-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 130.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 118159068) is 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide is N#CC1CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1.

What is the InChIKey of 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The InChIKey is UTWWORAHCAYQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N10OS/c25-6-14-8-32(9-14)20-7-26-17(5-19(20)33-10-18(27-12-33)15-1-2-15)23(35)29-21-11-36-24(30-21)22-31-28-13-34(22)16-3-4-16/h5,7,10-16H,1-4,8-9H2,(H,29,35).

What are the key properties of 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?

5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-cyanoazetidin-1-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118159068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).