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

C26H21FN4O3 — CID 42648412

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

4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 42648412) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: 4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 42648412
• Molecular Formula: C26H21FN4O3
• Molecular Weight: 456.48 g/mol
• Exact Mass: 456.16
• IUPAC Name: 4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• SMILES: COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccco5)c4C3c3ccccc3F)c2c1
• InChI: InChI=1S/C26H21FN4O3/c1-33-16-8-9-20-18(13-16)15(14-28-20)10-11-31-25(17-5-2-3-6-19(17)27)22-23(21-7-4-12-34-21)29-30-24(22)26(31)32/h2-9,12-14,25,28H,10-11H2,1H3,(H,29,30)
• InChIKey: JGMLXVKCVMEUEB-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 87.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.48
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 42648412) is 4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

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

The canonical SMILES for 4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccco5)c4C3c3ccccc3F)c2c1.

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

The InChIKey is JGMLXVKCVMEUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c1-33-16-8-9-20-18(13-16)15(14-28-20)10-11-31-25(17-5-2-3-6-19(17)27)22-23(21-7-4-12-34-21)29-30-24(22)26(31)32/h2-9,12-14,25,28H,10-11H2,1H3,(H,29,30).

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

4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 456.48 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 42648412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).