(5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione

C12H7FN4O3 — CID 143990703

IUPAC(5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](C#Cc2cc(F)c3c(=O)[nH][nH]c3c2)N1
InChIInChI=1S/C12H7FN4O3/c13-6-3-5(4-8-9(6)11(19)17-16-8)1-2-7-10(18)15-12(20)14-7/h3-4,7H,(H2,16,17,19)(H2,14,15,18,20)/t7-/m0/s1
InChIKeyHTPJLZOLLHFODE-ZETCQYMHSA-N
MW274.21 g/mol
LogP-0.45
Rot. Bonds

About (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione

(5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 143990703) has the molecular formula C12H7FN4O3 and a molecular weight of 274.21 g/mol. Its IUPAC name is (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione
PubChem CID143990703
Molecular FormulaC12H7FN4O3
Molecular Weight274.21 g/mol
Exact Mass274.05
IUPAC Name(5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](C#Cc2cc(F)c3c(=O)[nH][nH]c3c2)N1
InChIInChI=1S/C12H7FN4O3/c13-6-3-5(4-8-9(6)11(19)17-16-8)1-2-7-10(18)15-12(20)14-7/h3-4,7H,(H2,16,17,19)(H2,14,15,18,20)/t7-/m0/s1
InChIKeyHTPJLZOLLHFODE-ZETCQYMHSA-N
XLogP-0.45
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-(3-Oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione
CID 89070316
ethane;(5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione;5-methoxy-2-methyl-1,8-dihydrocyclohepta[c]pyrrol-3-one
CID 143990702
4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one;(5S)-5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione
CID 143991486
(4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one;(5S)-5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione
CID 143991524
(5S)-5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione
CID 143991488

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione (CID 143990703) is (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](C#Cc2cc(F)c3c(=O)[nH][nH]c3c2)N1.
What is the InChIKey of (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is HTPJLZOLLHFODE-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H7FN4O3/c13-6-3-5(4-8-9(6)11(19)17-16-8)1-2-7-10(18)15-12(20)14-7/h3-4,7H,(H2,16,17,19)(H2,14,15,18,20)/t7-/m0/s1.
What are the key properties of (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione?
(5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 274.21 g/mol, XLogP of -0.45, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143990703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).