1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione

C15H12N2O3 — CID 90354376

IUPAC1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione
SMILESO=C(CCC(=O)c1ccco1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H12N2O3/c18-13(5-6-14(19)15-2-1-7-20-15)10-3-4-12-11(8-10)9-16-17-12/h1-4,7-9H,5-6H2,(H,16,17)
InChIKeyUDPQUWLFJYWNST-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.00
Rot. Bonds5

About 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione

1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione (PubChem CID 90354376) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione
PubChem CID90354376
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione
SMILESO=C(CCC(=O)c1ccco1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H12N2O3/c18-13(5-6-14(19)15-2-1-7-20-15)10-3-4-12-11(8-10)9-16-17-12/h1-4,7-9H,5-6H2,(H,16,17)
InChIKeyUDPQUWLFJYWNST-UHFFFAOYSA-N
XLogP3.00
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-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 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione?
The IUPAC name of 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione (CID 90354376) is 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione.
What is the SMILES notation for 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione?
The canonical SMILES for 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione is O=C(CCC(=O)c1ccco1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione?
The InChIKey is UDPQUWLFJYWNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-13(5-6-14(19)15-2-1-7-20-15)10-3-4-12-11(8-10)9-16-17-12/h1-4,7-9H,5-6H2,(H,16,17).
What are the key properties of 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione?
1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione has a molecular weight of 268.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione is sourced from PubChem (CID 90354376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).