2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone

C18H17FN6O — CID 70108487

IUPAC2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone
SMILESNCC(=O)N1NCCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21
InChIInChI=1S/C18H17FN6O/c19-14-3-1-13(2-4-14)17-16(12-5-7-21-8-6-12)18-24(23-17)10-9-22-25(18)15(26)11-20/h1-8,22H,9-11,20H2
InChIKeyHSAOVTJWWNBTST-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone

2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone (PubChem CID 70108487) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone
PubChem CID70108487
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone
SMILESNCC(=O)N1NCCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21
InChIInChI=1S/C18H17FN6O/c19-14-3-1-13(2-4-14)17-16(12-5-7-21-8-6-12)18-24(23-17)10-9-22-25(18)15(26)11-20/h1-8,22H,9-11,20H2
InChIKeyHSAOVTJWWNBTST-UHFFFAOYSA-N
XLogP1.56
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone (CID 70108487) is 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone is NCC(=O)N1NCCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21.
What is the InChIKey of 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone?
The InChIKey is HSAOVTJWWNBTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-14-3-1-13(2-4-14)17-16(12-5-7-21-8-6-12)18-24(23-17)10-9-22-25(18)15(26)11-20/h1-8,22H,9-11,20H2.
What are the key properties of 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone?
2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone has a molecular weight of 352.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-2H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]ethanone is sourced from PubChem (CID 70108487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).