(4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C23H22N4O2 — CID 41063299

About (4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

(4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 41063299) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: (4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 41063299
• Molecular Formula: C23H22N4O2
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.17
• IUPAC Name: (4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• SMILES: COc1ccccc1[C@@H]1c2c(n[nH]c2C)C(=O)N1CCc1c[nH]c2ccccc12
• InChI: InChI=1S/C23H22N4O2/c1-14-20-21(26-25-14)23(28)27(22(20)17-8-4-6-10-19(17)29-2)12-11-15-13-24-18-9-5-3-7-16(15)18/h3-10,13,22,24H,11-12H2,1-2H3,(H,25,26)/t22-/m1/s1
• InChIKey: HTRRDYZCRONCQK-JOCHJYFZSA-N
• XLogP: 4.00
• TPSA: 74.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 41063299) is (4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

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

The canonical SMILES for (4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1[C@@H]1c2c(n[nH]c2C)C(=O)N1CCc1c[nH]c2ccccc12.

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

The InChIKey is HTRRDYZCRONCQK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14-20-21(26-25-14)23(28)27(22(20)17-8-4-6-10-19(17)29-2)12-11-15-13-24-18-9-5-3-7-16(15)18/h3-10,13,22,24H,11-12H2,1-2H3,(H,25,26)/t22-/m1/s1.

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

(4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 386.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 41063299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).