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

C26H21N5O5 — CID 51718753

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

(4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 51718753) has the molecular formula C26H21N5O5 and a molecular weight of 483.48 g/mol. Its IUPAC name is (4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: (4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 51718753
• Molecular Formula: C26H21N5O5
• Molecular Weight: 483.48 g/mol
• Exact Mass: 483.15
• IUPAC Name: (4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• SMILES: COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccco5)c4[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1
• InChI: InChI=1S/C26H21N5O5/c1-35-18-8-9-20-19(13-18)16(14-27-20)10-11-30-25(15-4-6-17(7-5-15)31(33)34)22-23(21-3-2-12-36-21)28-29-24(22)26(30)32/h2-9,12-14,25,27H,10-11H2,1H3,(H,28,29)/t25-/m1/s1
• InChIKey: IKBVOIXQMOKOFK-RUZDIDTESA-N
• XLogP: 4.86
• TPSA: 130.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.48
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 51718753) is (4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

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

The canonical SMILES for (4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccco5)c4[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1.

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

The InChIKey is IKBVOIXQMOKOFK-RUZDIDTESA-N. The full InChI is InChI=1S/C26H21N5O5/c1-35-18-8-9-20-19(13-18)16(14-27-20)10-11-30-25(15-4-6-17(7-5-15)31(33)34)22-23(21-3-2-12-36-21)28-29-24(22)26(30)32/h2-9,12-14,25,27H,10-11H2,1H3,(H,28,29)/t25-/m1/s1.

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

(4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 483.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 51718753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).