1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one

C13H15FN4O — CID 166783848

IUPAC1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one
SMILESNCC(=CF)Cn1ncc2c(=O)n(C3CC3)ccc21
InChIInChI=1S/C13H15FN4O/c14-5-9(6-15)8-18-12-3-4-17(10-1-2-10)13(19)11(12)7-16-18/h3-5,7,10H,1-2,6,8,15H2
InChIKeyGODAVMANILJJSA-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one

1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 166783848) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one
PubChem CID166783848
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one
SMILESNCC(=CF)Cn1ncc2c(=O)n(C3CC3)ccc21
InChIInChI=1S/C13H15FN4O/c14-5-9(6-15)8-18-12-3-4-17(10-1-2-10)13(19)11(12)7-16-18/h3-5,7,10H,1-2,6,8,15H2
InChIKeyGODAVMANILJJSA-UHFFFAOYSA-N
XLogP1.35
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one (CID 166783848) is 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one is NCC(=CF)Cn1ncc2c(=O)n(C3CC3)ccc21.
What is the InChIKey of 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is GODAVMANILJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-5-9(6-15)8-18-12-3-4-17(10-1-2-10)13(19)11(12)7-16-18/h3-5,7,10H,1-2,6,8,15H2.
What are the key properties of 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one?
1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one has a molecular weight of 262.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 166783848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).