3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C24H22F2N4O3 — CID 167283054

IUPAC3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1c2c(O)c(=O)ccn2NCN1C/C=C\CCc1ncc(F)cc1Cc1cccc(F)c1
InChIInChI=1S/C24H22F2N4O3/c25-18-6-4-5-16(12-18)11-17-13-19(26)14-27-20(17)7-2-1-3-9-29-15-28-30-10-8-21(31)23(32)22(30)24(29)33/h1,3-6,8,10,12-14,28,32H,2,7,9,11,15H2/b3-1-
InChIKeyWFPYKHMGKUZSEW-IWQZZHSRSA-N
MW452.46 g/mol
LogP2.96
Rot. Bonds7

About 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 167283054) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID167283054
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1c2c(O)c(=O)ccn2NCN1C/C=C\CCc1ncc(F)cc1Cc1cccc(F)c1
InChIInChI=1S/C24H22F2N4O3/c25-18-6-4-5-16(12-18)11-17-13-19(26)14-27-20(17)7-2-1-3-9-29-15-28-30-10-8-21(31)23(32)22(30)24(29)33/h1,3-6,8,10,12-14,28,32H,2,7,9,11,15H2/b3-1-
InChIKeyWFPYKHMGKUZSEW-IWQZZHSRSA-N
XLogP2.96
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

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Related Compounds

3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
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CID 142297147
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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 167283054) is 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is O=C1c2c(O)c(=O)ccn2NCN1C/C=C\CCc1ncc(F)cc1Cc1cccc(F)c1.
What is the InChIKey of 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is WFPYKHMGKUZSEW-IWQZZHSRSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c25-18-6-4-5-16(12-18)11-17-13-19(26)14-27-20(17)7-2-1-3-9-29-15-28-30-10-8-21(31)23(32)22(30)24(29)33/h1,3-6,8,10,12-14,28,32H,2,7,9,11,15H2/b3-1-.
What are the key properties of 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 452.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-5-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-pyridinyl]pent-2-enyl]-5-hydroxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 167283054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).