4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C25H26N6O4 — CID 58365684

About 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365684) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 58365684
• Molecular Formula: C25H26N6O4
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.20
• IUPAC Name: 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• SMILES: COCCOc1ncccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2nc(C)no2)cc1
• InChI: InChI=1S/C25H26N6O4/c1-14(2)20-19-21(29-28-20)25(32)31(17-9-7-16(8-10-17)23-27-15(3)30-35-23)22(19)18-6-5-11-26-24(18)34-13-12-33-4/h5-11,14,22H,12-13H2,1-4H3,(H,28,29)
• InChIKey: BGUYTVKMPNZEKQ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 119.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The IUPAC name of 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365684) is 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

What is the SMILES notation for 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The canonical SMILES for 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COCCOc1ncccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2nc(C)no2)cc1.

What is the InChIKey of 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The InChIKey is BGUYTVKMPNZEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-14(2)20-19-21(29-28-20)25(32)31(17-9-7-16(8-10-17)23-27-15(3)30-35-23)22(19)18-6-5-11-26-24(18)34-13-12-33-4/h5-11,14,22H,12-13H2,1-4H3,(H,28,29).

What are the key properties of 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 474.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).