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

C24H23N5O3 — CID 5136180

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

2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide (PubChem CID 5136180) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide
• PubChem CID: 5136180
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide
• SMILES: CCc1ccc(NC(=O)COc2cccc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)cc1
• InChI: InChI=1S/C24H23N5O3/c1-3-15-7-9-17(10-8-15)27-20(30)13-31-18-6-4-5-16(11-18)22-19(12-25)23(26)32-24-21(22)14(2)28-29-24/h4-11,22H,3,13,26H2,1-2H3,(H,27,30)(H,28,29)
• InChIKey: ICTIHAJGTDBRPW-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 126.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide (CID 5136180) is 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide.

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

The canonical SMILES for 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)COc2cccc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)cc1.

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

The InChIKey is ICTIHAJGTDBRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-3-15-7-9-17(10-8-15)27-20(30)13-31-18-6-4-5-16(11-18)22-19(12-25)23(26)32-24-21(22)14(2)28-29-24/h4-11,22H,3,13,26H2,1-2H3,(H,27,30)(H,28,29).

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

2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 5136180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).