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

C25H25N5O4 — CID 58366140

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

4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58366140) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-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-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 58366140
• Molecular Formula: C25H25N5O4
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.19
• IUPAC Name: 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-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(-c2ccon2)cc1
• InChI: InChI=1S/C25H25N5O4/c1-15(2)21-20-22(28-27-21)25(31)30(17-8-6-16(7-9-17)19-10-12-34-29-19)23(20)18-5-4-11-26-24(18)33-14-13-32-3/h4-12,15,23H,13-14H2,1-3H3,(H,27,28)
• InChIKey: BUJBNDIUVHYUIF-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 106.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-(1,2-oxazol-3-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-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58366140) is 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-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-(1,2-oxazol-3-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-(1,2-oxazol-3-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(-c2ccon2)cc1.

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

The InChIKey is BUJBNDIUVHYUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-15(2)21-20-22(28-27-21)25(31)30(17-8-6-16(7-9-17)19-10-12-34-29-19)23(20)18-5-4-11-26-24(18)33-14-13-32-3/h4-12,15,23H,13-14H2,1-3H3,(H,27,28).

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

4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 459.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58366140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).