2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C13H19FN4O2 — CID 154637405

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCOCCN1CCc2nn(C/C(=C/F)CN)cc2C1=O
InChIInChI=1S/C13H19FN4O2/c1-20-5-4-17-3-2-12-11(13(17)19)9-18(16-12)8-10(6-14)7-15/h6,9H,2-5,7-8,15H2,1H3/b10-6+
InChIKeyQUYYJLHKJFDGIR-UXBLZVDNSA-N
MW282.32 g/mol
LogP0.34
Rot. Bonds6

About 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 154637405) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID154637405
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCOCCN1CCc2nn(C/C(=C/F)CN)cc2C1=O
InChIInChI=1S/C13H19FN4O2/c1-20-5-4-17-3-2-12-11(13(17)19)9-18(16-12)8-10(6-14)7-15/h6,9H,2-5,7-8,15H2,1H3/b10-6+
InChIKeyQUYYJLHKJFDGIR-UXBLZVDNSA-N
XLogP0.34
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 154637405) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is COCCN1CCc2nn(C/C(=C/F)CN)cc2C1=O.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is QUYYJLHKJFDGIR-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-20-5-4-17-3-2-12-11(13(17)19)9-18(16-12)8-10(6-14)7-15/h6,9H,2-5,7-8,15H2,1H3/b10-6+.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 282.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methoxyethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 154637405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).