2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide

C23H19F6N3O4 — CID 155595206

About 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide

2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide (PubChem CID 155595206) has the molecular formula C23H19F6N3O4 and a molecular weight of 515.41 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide
• PubChem CID: 155595206
• Molecular Formula: C23H19F6N3O4
• Molecular Weight: 515.41 g/mol
• Exact Mass: 515.13
• IUPAC Name: 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccc(C(O)(C(F)F)C(F)F)cc2)c(=O)n(-c2ccccc2OCC(F)F)n1
• InChI: InChI=1S/C23H19F6N3O4/c1-12-10-15(20(34)32(31-12)16-4-2-3-5-17(16)36-11-18(24)25)19(33)30-14-8-6-13(7-9-14)23(35,21(26)27)22(28)29/h2-10,18,21-22,35H,11H2,1H3,(H,30,33)
• InChIKey: CTSKNCVGKGWGIR-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 93.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.41
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide?

The IUPAC name of 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide (CID 155595206) is 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide.

What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide?

The canonical SMILES for 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(O)(C(F)F)C(F)F)cc2)c(=O)n(-c2ccccc2OCC(F)F)n1.

What is the InChIKey of 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide?

The InChIKey is CTSKNCVGKGWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N3O4/c1-12-10-15(20(34)32(31-12)16-4-2-3-5-17(16)36-11-18(24)25)19(33)30-14-8-6-13(7-9-14)23(35,21(26)27)22(28)29/h2-10,18,21-22,35H,11H2,1H3,(H,30,33).

What are the key properties of 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide?

2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide has a molecular weight of 515.41 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,2-difluoroethoxy)phenyl]-6-methyl-3-oxo-N-[4-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 155595206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).