1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione

C25H20FN5O3 — CID 135554945

IUPAC1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nn3c2NN(C(=O)C(=O)c2ccccc2)CC3)ccn1
InChIInChI=1S/C25H20FN5O3/c1-34-20-15-18(11-12-27-20)21-22(16-7-9-19(26)10-8-16)28-30-13-14-31(29-24(21)30)25(33)23(32)17-5-3-2-4-6-17/h2-12,15,29H,13-14H2,1H3
InChIKeyWFZSXUHLXJQRQD-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.81
Rot. Bonds5

About 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione

1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione (PubChem CID 135554945) has the molecular formula C25H20FN5O3 and a molecular weight of 457.47 g/mol. Its IUPAC name is 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione
PubChem CID135554945
Molecular FormulaC25H20FN5O3
Molecular Weight457.47 g/mol
Exact Mass457.16
IUPAC Name1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nn3c2NN(C(=O)C(=O)c2ccccc2)CC3)ccn1
InChIInChI=1S/C25H20FN5O3/c1-34-20-15-18(11-12-27-20)21-22(16-7-9-19(26)10-8-16)28-30-13-14-31(29-24(21)30)25(33)23(32)17-5-3-2-4-6-17/h2-12,15,29H,13-14H2,1H3
InChIKeyWFZSXUHLXJQRQD-UHFFFAOYSA-N
XLogP3.81
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-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

(3,4-dichlorophenyl)-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]methanone
CID 135554962
1-[7-(4-fluorophenyl)-8-(2-fluoro-4-pyridinyl)-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-2-phenylethane-1,2-dione
CID 70108681
2-(2,6-dichlorophenyl)-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]ethanone
CID 135554944
N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide
CID 136506173
(4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 167130400
3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177296115
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
CID 170328030
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465352
1-[3-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanethione
CID 167130627
4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine
CID 167130352
N-[4-[5-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]acetamide
CID 167130345

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione (CID 135554945) is 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione is COc1cc(-c2c(-c3ccc(F)cc3)nn3c2NN(C(=O)C(=O)c2ccccc2)CC3)ccn1.
What is the InChIKey of 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione?
The InChIKey is WFZSXUHLXJQRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3/c1-34-20-15-18(11-12-27-20)21-22(16-7-9-19(26)10-8-16)28-30-13-14-31(29-24(21)30)25(33)23(32)17-5-3-2-4-6-17/h2-12,15,29H,13-14H2,1H3.
What are the key properties of 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione?
1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione has a molecular weight of 457.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 135554945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).