1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone

C14H15FN4O — CID 84581306

IUPAC1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone
SMILESNc1n[nH]c2c1CCN(C(=O)Cc1ccc(F)cc1)C2
InChIInChI=1S/C14H15FN4O/c15-10-3-1-9(2-4-10)7-13(20)19-6-5-11-12(8-19)17-18-14(11)16/h1-4H,5-8H2,(H3,16,17,18)
InChIKeyWBKRGGPDFZNECV-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.26
Rot. Bonds2

About 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone

1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 84581306) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone
PubChem CID84581306
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone
SMILESNc1n[nH]c2c1CCN(C(=O)Cc1ccc(F)cc1)C2
InChIInChI=1S/C14H15FN4O/c15-10-3-1-9(2-4-10)7-13(20)19-6-5-11-12(8-19)17-18-14(11)16/h1-4H,5-8H2,(H3,16,17,18)
InChIKeyWBKRGGPDFZNECV-UHFFFAOYSA-N
XLogP1.26
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone (CID 84581306) is 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone is Nc1n[nH]c2c1CCN(C(=O)Cc1ccc(F)cc1)C2.
What is the InChIKey of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is WBKRGGPDFZNECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-10-3-1-9(2-4-10)7-13(20)19-6-5-11-12(8-19)17-18-14(11)16/h1-4H,5-8H2,(H3,16,17,18).
What are the key properties of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone?
1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 274.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 84581306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).