(1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione

C16H11N3O3S — CID 6324434

IUPAC(1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1cn[nH]c1-c1cccs1
InChIInChI=1S/C16H11N3O3S/c1-8-5-10-11(22-16(21)13(10)15(20)18-8)6-9-7-17-19-14(9)12-3-2-4-23-12/h2-7H,1H3,(H,17,19)(H,18,20)/b11-6+
InChIKeyMFFPKDGENOMPBP-IZZDOVSWSA-N
MW325.35 g/mol
LogP2.80
Rot. Bonds2

About (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione

(1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 6324434) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID6324434
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name(1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1cn[nH]c1-c1cccs1
InChIInChI=1S/C16H11N3O3S/c1-8-5-10-11(22-16(21)13(10)15(20)18-8)6-9-7-17-19-14(9)12-3-2-4-23-12/h2-7H,1H3,(H,17,19)(H,18,20)/b11-6+
InChIKeyMFFPKDGENOMPBP-IZZDOVSWSA-N
XLogP2.80
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione 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 (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione (CID 6324434) is (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1cn[nH]c1-c1cccs1.
What is the InChIKey of (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is MFFPKDGENOMPBP-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H11N3O3S/c1-8-5-10-11(22-16(21)13(10)15(20)18-8)6-9-7-17-19-14(9)12-3-2-4-23-12/h2-7H,1H3,(H,17,19)(H,18,20)/b11-6+.
What are the key properties of (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione?
(1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 325.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 6324434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).