2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

C23H14F2N6O — CID 16821300

About 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 16821300) has the molecular formula C23H14F2N6O and a molecular weight of 428.40 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• PubChem CID: 16821300
• Molecular Formula: C23H14F2N6O
• Molecular Weight: 428.40 g/mol
• Exact Mass: 428.12
• IUPAC Name: 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)c1ccc(F)cc1F
• InChI: InChI=1S/C23H14F2N6O/c24-16-5-8-18(19(25)12-16)23(32)27-17-6-3-14(4-7-17)20-9-10-21-28-29-22(31(21)30-20)15-2-1-11-26-13-15/h1-13H,(H,27,32)
• InChIKey: HZWZXHGSTQECIG-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.40
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

The IUPAC name of 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 16821300) is 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

What is the SMILES notation for 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

The canonical SMILES for 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)c1ccc(F)cc1F.

What is the InChIKey of 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

The InChIKey is HZWZXHGSTQECIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N6O/c24-16-5-8-18(19(25)12-16)23(32)27-17-6-3-14(4-7-17)20-9-10-21-28-29-22(31(21)30-20)15-2-1-11-26-13-15/h1-13H,(H,27,32).

What are the key properties of 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 428.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 16821300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).