2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide

C22H21F2N3O4 — CID 155595177

IUPAC2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccccc3OCC(F)F)c2=O)cc1
InChIInChI=1S/C22H21F2N3O4/c1-22(2,30)14-7-9-15(10-8-14)26-20(28)16-11-12-25-27(21(16)29)17-5-3-4-6-18(17)31-13-19(23)24/h3-12,19,30H,13H2,1-2H3,(H,26,28)
InChIKeyFPJCZSVAGQWPJE-UHFFFAOYSA-N
MW429.42 g/mol
LogP3.36
Rot. Bonds7

About 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide

2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide (PubChem CID 155595177) has the molecular formula C22H21F2N3O4 and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide
PubChem CID155595177
Molecular FormulaC22H21F2N3O4
Molecular Weight429.42 g/mol
Exact Mass429.15
IUPAC Name2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccccc3OCC(F)F)c2=O)cc1
InChIInChI=1S/C22H21F2N3O4/c1-22(2,30)14-7-9-15(10-8-14)26-20(28)16-11-12-25-27(21(16)29)17-5-3-4-6-18(17)31-13-19(23)24/h3-12,19,30H,13H2,1-2H3,(H,26,28)
InChIKeyFPJCZSVAGQWPJE-UHFFFAOYSA-N
XLogP3.36
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide (CID 155595177) is 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide is CC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccccc3OCC(F)F)c2=O)cc1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide?
The InChIKey is FPJCZSVAGQWPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O4/c1-22(2,30)14-7-9-15(10-8-14)26-20(28)16-11-12-25-27(21(16)29)17-5-3-4-6-18(17)31-13-19(23)24/h3-12,19,30H,13H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide?
2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide has a molecular weight of 429.42 g/mol, XLogP of 3.36, 7 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]-N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 155595177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).