3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C27H28N4O4 — CID 58365372

IUPAC3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOCCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C27H28N4O4/c1-27(2,3)24-21-22(29-30-24)26(32)31(19-9-7-17(8-10-19)18-11-13-34-16-18)23(21)20-6-5-12-28-25(20)35-15-14-33-4/h5-13,16,23H,14-15H2,1-4H3,(H,29,30)
InChIKeyFDOYZEALWJTEFT-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.14
Rot. Bonds7

About 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365372) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365372
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOCCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C27H28N4O4/c1-27(2,3)24-21-22(29-30-24)26(32)31(19-9-7-17(8-10-19)18-11-13-34-16-18)23(21)20-6-5-12-28-25(20)35-15-14-33-4/h5-13,16,23H,14-15H2,1-4H3,(H,29,30)
InChIKeyFDOYZEALWJTEFT-UHFFFAOYSA-N
XLogP5.14
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365372) is 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COCCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)cc1.
What is the InChIKey of 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is FDOYZEALWJTEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-27(2,3)24-21-22(29-30-24)26(32)31(19-9-7-17(8-10-19)18-11-13-34-16-18)23(21)20-6-5-12-28-25(20)35-15-14-33-4/h5-13,16,23H,14-15H2,1-4H3,(H,29,30).
What are the key properties of 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 472.55 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).