(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

C23H20FN5O5 — CID 143991524

IUPAC(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
SMILESCN1CC2=C(C1=O)/C(F)=C(O)\C=C/CC2.O=C1NC(=O)[C@H](C#Cc2ccc3c(=O)[nH][nH]c3c2)N1
InChIInChI=1S/C12H8N4O3.C11H12FNO2/c17-10-7-3-1-6(5-9(7)15-16-10)2-4-8-11(18)14-12(19)13-8;1-13-6-7-4-2-3-5-8(14)10(12)9(7)11(13)15/h1,3,5,8H,(H2,15,16,17)(H2,13,14,18,19);3,5,14H,2,4,6H2,1H3/b;5-3-,10-8-/t8-;/m0./s1
InChIKeyGENBRLNJYCJDOK-PFTFMACYSA-N
MW465.44 g/mol
LogP1.26
Rot. Bonds

About (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

(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 (PubChem CID 143991524) has the molecular formula C23H20FN5O5 and a molecular weight of 465.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID143991524
Molecular FormulaC23H20FN5O5
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name(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
SMILESCN1CC2=C(C1=O)/C(F)=C(O)\C=C/CC2.O=C1NC(=O)[C@H](C#Cc2ccc3c(=O)[nH][nH]c3c2)N1
InChIInChI=1S/C12H8N4O3.C11H12FNO2/c17-10-7-3-1-6(5-9(7)15-16-10)2-4-8-11(18)14-12(19)13-8;1-13-6-7-4-2-3-5-8(14)10(12)9(7)11(13)15/h1,3,5,8H,(H2,15,16,17)(H2,13,14,18,19);3,5,14H,2,4,6H2,1H3/b;5-3-,10-8-/t8-;/m0./s1
InChIKeyGENBRLNJYCJDOK-PFTFMACYSA-N
XLogP1.26
TPSA147.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 51.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(5S)-5-[2-(4-fluoro-3-oxo-1,2-dihydroindazol-6-yl)ethynyl]imidazolidine-2,4-dione
CID 143990703
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
(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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1CC2=C(C1=O)/C(F)=C(O)\C=C/CC2.O=C1NC(=O)[C@H](C#Cc2ccc3c(=O)[nH][nH]c3c2)N1.
What is the InChIKey of (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?
The InChIKey is GENBRLNJYCJDOK-PFTFMACYSA-N. The full InChI is InChI=1S/C12H8N4O3.C11H12FNO2/c17-10-7-3-1-6(5-9(7)15-16-10)2-4-8-11(18)14-12(19)13-8;1-13-6-7-4-2-3-5-8(14)10(12)9(7)11(13)15/h1,3,5,8H,(H2,15,16,17)(H2,13,14,18,19);3,5,14H,2,4,6H2,1H3/b;5-3-,10-8-/t8-;/m0./s1.
What are the key properties of (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?
(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 has a molecular weight of 465.44 g/mol, XLogP of 1.26, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 143991524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).