formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one

C22H26N4O5 — CID 163341679

About formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one

formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one (PubChem CID 163341679) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one.

Molecular Properties

• Compound Name: formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one
• PubChem CID: 163341679
• Molecular Formula: C22H26N4O5
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.19
• IUPAC Name: formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one
• SMILES: COc1cccc(N2CCN(C(=O)c3ccc4c(n3)N(C)CC4)C(C)C2=O)c1.O=CO
• InChI: InChI=1S/C21H24N4O3.CH2O2/c1-14-20(26)25(16-5-4-6-17(13-16)28-3)12-11-24(14)21(27)18-8-7-15-9-10-23(2)19(15)22-18;2-1-3/h4-8,13-14H,9-12H2,1-3H3;1H,(H,2,3)
• InChIKey: RZPJTRDOCZUJMG-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one?

The IUPAC name of formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one (CID 163341679) is formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one.

What is the SMILES notation for formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one?

The canonical SMILES for formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one is COc1cccc(N2CCN(C(=O)c3ccc4c(n3)N(C)CC4)C(C)C2=O)c1.O=CO.

What is the InChIKey of formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one?

The InChIKey is RZPJTRDOCZUJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.CH2O2/c1-14-20(26)25(16-5-4-6-17(13-16)28-3)12-11-24(14)21(27)18-8-7-15-9-10-23(2)19(15)22-18;2-1-3/h4-8,13-14H,9-12H2,1-3H3;1H,(H,2,3).

What are the key properties of formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one?

formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one has a molecular weight of 426.47 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one is sourced from PubChem (CID 163341679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).