(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C25H22N2O6 — CID 97045978

About (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97045978) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 97045978
• Molecular Formula: C25H22N2O6
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.15
• IUPAC Name: (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccnn2C(C)C)cc1
• InChI: InChI=1S/C25H22N2O6/c1-13(2)27-18(8-9-26-27)16-10-21(29)33-20-11-19(28)23-24(30)17(12-32-25(23)22(16)20)14-4-6-15(31-3)7-5-14/h4-9,11-13,16,28H,10H2,1-3H3/t16-/m0/s1
• InChIKey: MBKIFUBFTJSHFS-INIZCTEOSA-N
• XLogP: 4.39
• TPSA: 103.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97045978) is (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccnn2C(C)C)cc1.

What is the InChIKey of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is MBKIFUBFTJSHFS-INIZCTEOSA-N. The full InChI is InChI=1S/C25H22N2O6/c1-13(2)27-18(8-9-26-27)16-10-21(29)33-20-11-19(28)23-24(30)17(12-32-25(23)22(16)20)14-4-6-15(31-3)7-5-14/h4-9,11-13,16,28H,10H2,1-3H3/t16-/m0/s1.

What are the key properties of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 446.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97045978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).