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

C24H18Cl2FN5O — CID 135554944

IUPAC2-(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
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2N1
InChIInChI=1S/C24H18Cl2FN5O/c25-19-2-1-3-20(26)18(19)14-21(33)31-12-13-32-24(30-31)22(15-8-10-28-11-9-15)23(29-32)16-4-6-17(27)7-5-16/h1-11,30H,12-14H2
InChIKeyYQFACHXDUKHDBB-UHFFFAOYSA-N
MW482.35 g/mol
LogP5.47
Rot. Bonds4

About 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

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 (PubChem CID 135554944) has the molecular formula C24H18Cl2FN5O and a molecular weight of 482.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID135554944
Molecular FormulaC24H18Cl2FN5O
Molecular Weight482.35 g/mol
Exact Mass481.09
IUPAC Name2-(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
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2N1
InChIInChI=1S/C24H18Cl2FN5O/c25-19-2-1-3-20(26)18(19)14-21(33)31-12-13-32-24(30-31)22(15-8-10-28-11-9-15)23(29-32)16-4-6-17(27)7-5-16/h1-11,30H,12-14H2
InChIKeyYQFACHXDUKHDBB-UHFFFAOYSA-N
XLogP5.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cc1c(Cl)cccc1Cl)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2N1.
What is the InChIKey of 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?
The InChIKey is YQFACHXDUKHDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN5O/c25-19-2-1-3-20(26)18(19)14-21(33)31-12-13-32-24(30-31)22(15-8-10-28-11-9-15)23(29-32)16-4-6-17(27)7-5-16/h1-11,30H,12-14H2.
What are the key properties of 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?
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 has a molecular weight of 482.35 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135554944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).