2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide

C22H17Cl2N5O3 — CID 4298450

About 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide

2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 4298450) has the molecular formula C22H17Cl2N5O3 and a molecular weight of 470.32 g/mol. Its IUPAC name is 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide
• PubChem CID: 4298450
• Molecular Formula: C22H17Cl2N5O3
• Molecular Weight: 470.32 g/mol
• Exact Mass: 469.07
• IUPAC Name: 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide
• SMILES: Cc1[nH]nc2c1C(c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl)C(C#N)=C(N)O2
• InChI: InChI=1S/C22H17Cl2N5O3/c1-11-18-19(13(9-25)21(26)32-22(18)29-28-11)12-5-2-3-8-16(12)31-10-17(30)27-15-7-4-6-14(23)20(15)24/h2-8,19H,10,26H2,1H3,(H,27,30)(H,28,29)
• InChIKey: PSRVWNCHITZDKF-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 126.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.32
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide?

The IUPAC name of 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide (CID 4298450) is 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide.

What is the SMILES notation for 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide?

The canonical SMILES for 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide is Cc1[nH]nc2c1C(c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl)C(C#N)=C(N)O2.

What is the InChIKey of 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide?

The InChIKey is PSRVWNCHITZDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O3/c1-11-18-19(13(9-25)21(26)32-22(18)29-28-11)12-5-2-3-8-16(12)31-10-17(30)27-15-7-4-6-14(23)20(15)24/h2-8,19H,10,26H2,1H3,(H,27,30)(H,28,29).

What are the key properties of 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide?

2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 470.32 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 4298450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).