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

C12H15FN4O — CID 166783835

IUPAC2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one
SMILESCCn1ccc2nn(CC(=CF)CN)cc2c1=O
InChIInChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)8-17(15-11)7-9(5-13)6-14/h3-5,8H,2,6-7,14H2,1H3
InChIKeyMYAQSYVTQBZPPY-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.03
Rot. Bonds4

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

2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one (PubChem CID 166783835) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one
PubChem CID166783835
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one
SMILESCCn1ccc2nn(CC(=CF)CN)cc2c1=O
InChIInChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)8-17(15-11)7-9(5-13)6-14/h3-5,8H,2,6-7,14H2,1H3
InChIKeyMYAQSYVTQBZPPY-UHFFFAOYSA-N
XLogP1.03
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one (CID 166783835) is 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one is CCn1ccc2nn(CC(=CF)CN)cc2c1=O.
What is the InChIKey of 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one?
The InChIKey is MYAQSYVTQBZPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)8-17(15-11)7-9(5-13)6-14/h3-5,8H,2,6-7,14H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one?
2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one has a molecular weight of 250.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 166783835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).