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

C25H25N5O5 — CID 4542743

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

2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 4542743) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide
• PubChem CID: 4542743
• Molecular Formula: C25H25N5O5
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.19
• IUPAC Name: 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide
• SMILES: CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCC(=O)Nc1cccc(OC)c1
• InChI: InChI=1S/C25H25N5O5/c1-4-33-20-10-15(23-18(12-26)24(27)35-25-22(23)14(2)29-30-25)8-9-19(20)34-13-21(31)28-16-6-5-7-17(11-16)32-3/h5-11,23H,4,13,27H2,1-3H3,(H,28,31)(H,29,30)
• InChIKey: IRDFYQQSVCUCLU-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 144.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide (CID 4542743) is 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide.

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

The canonical SMILES for 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide is CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCC(=O)Nc1cccc(OC)c1.

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

The InChIKey is IRDFYQQSVCUCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-4-33-20-10-15(23-18(12-26)24(27)35-25-22(23)14(2)29-30-25)8-9-19(20)34-13-21(31)28-16-6-5-7-17(11-16)32-3/h5-11,23H,4,13,27H2,1-3H3,(H,28,31)(H,29,30).

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

2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 475.51 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 4542743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).