ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide

C27H22F3N7O — CID 143484484

About ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide

ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide (PubChem CID 143484484) has the molecular formula C27H22F3N7O and a molecular weight of 517.52 g/mol. Its IUPAC name is ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide.

Molecular Properties

• Compound Name: ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
• PubChem CID: 143484484
• Molecular Formula: C27H22F3N7O
• Molecular Weight: 517.52 g/mol
• Exact Mass: 517.18
• IUPAC Name: ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
• SMILES: CC.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2cccnc2)c1
• InChI: InChI=1S/C25H16F3N7O.C2H6/c26-25(27,28)21-13-20(19-7-3-11-30-15-19)34-35(21)23-9-8-22(32-33-23)31-24(36)17-5-1-4-16(12-17)18-6-2-10-29-14-18;1-2/h1-15H,(H,31,32,36);1-2H3
• InChIKey: DAUYSZKMOYRJGA-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.52
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

The IUPAC name of ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide (CID 143484484) is ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide.

What is the SMILES notation for ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

The canonical SMILES for ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide is CC.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2cccnc2)c1.

What is the InChIKey of ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

The InChIKey is DAUYSZKMOYRJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N7O.C2H6/c26-25(27,28)21-13-20(19-7-3-11-30-15-19)34-35(21)23-9-8-22(32-33-23)31-24(36)17-5-1-4-16(12-17)18-6-2-10-29-14-18;1-2/h1-15H,(H,31,32,36);1-2H3.

What are the key properties of ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide has a molecular weight of 517.52 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide is sourced from PubChem (CID 143484484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).