4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C28H26N4O5 — CID 46948863

About 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 46948863) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 46948863
• Molecular Formula: C28H26N4O5
• Molecular Weight: 498.54 g/mol
• Exact Mass: 498.19
• IUPAC Name: 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• SMILES: COc1ccc(C2c3c(n[nH]c3-c3ccco3)C(=O)N2CCc2cc3cc(OC)ccc3[nH]2)c(OC)c1
• InChI: InChI=1S/C28H26N4O5/c1-34-18-7-9-21-16(14-18)13-17(29-21)10-11-32-27(20-8-6-19(35-2)15-23(20)36-3)24-25(22-5-4-12-37-22)30-31-26(24)28(32)33/h4-9,12-15,27,29H,10-11H2,1-3H3,(H,30,31)
• InChIKey: WBAJFYZONDWUED-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 105.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.54
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The IUPAC name of 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 46948863) is 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The canonical SMILES for 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccc(C2c3c(n[nH]c3-c3ccco3)C(=O)N2CCc2cc3cc(OC)ccc3[nH]2)c(OC)c1.

What is the InChIKey of 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The InChIKey is WBAJFYZONDWUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-34-18-7-9-21-16(14-18)13-17(29-21)10-11-32-27(20-8-6-19(35-2)15-23(20)36-3)24-25(22-5-4-12-37-22)30-31-26(24)28(32)33/h4-9,12-15,27,29H,10-11H2,1-3H3,(H,30,31).

What are the key properties of 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 498.54 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 46948863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).