2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide

C21H17F2N7O — CID 138587728

About 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide

2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide (PubChem CID 138587728) has the molecular formula C21H17F2N7O and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
• PubChem CID: 138587728
• Molecular Formula: C21H17F2N7O
• Molecular Weight: 421.41 g/mol
• Exact Mass: 421.15
• IUPAC Name: 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
• SMILES: Cn1cncc1-c1ccc2nnc(NC(=O)c3ccnc(N4CC(F)(F)C4)c3)cc2c1
• InChI: InChI=1S/C21H17F2N7O/c1-29-12-24-9-17(29)13-2-3-16-15(6-13)7-18(28-27-16)26-20(31)14-4-5-25-19(8-14)30-10-21(22,23)11-30/h2-9,12H,10-11H2,1H3,(H,26,28,31)
• InChIKey: UAJRZEDXFRHWIB-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.41
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide (CID 138587728) is 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide is Cn1cncc1-c1ccc2nnc(NC(=O)c3ccnc(N4CC(F)(F)C4)c3)cc2c1.

What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The InChIKey is UAJRZEDXFRHWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N7O/c1-29-12-24-9-17(29)13-2-3-16-15(6-13)7-18(28-27-16)26-20(31)14-4-5-25-19(8-14)30-10-21(22,23)11-30/h2-9,12H,10-11H2,1H3,(H,26,28,31).

What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide?

2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138587728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).