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

C12H15FN4O — CID 154637353

IUPAC1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one
SMILESCCn1ccc2c(cnn2C/C(=C/F)CN)c1=O
InChIInChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)7-15-17(11)8-9(5-13)6-14/h3-5,7H,2,6,8,14H2,1H3/b9-5+
InChIKeyZLLQOMOPQHSBTO-WEVVVXLNSA-N
MW250.28 g/mol
LogP1.03
Rot. Bonds4

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

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 154637353) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one
PubChem CID154637353
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one
SMILESCCn1ccc2c(cnn2C/C(=C/F)CN)c1=O
InChIInChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)7-15-17(11)8-9(5-13)6-14/h3-5,7H,2,6,8,14H2,1H3/b9-5+
InChIKeyZLLQOMOPQHSBTO-WEVVVXLNSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one (CID 154637353) is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one is CCn1ccc2c(cnn2C/C(=C/F)CN)c1=O.
What is the InChIKey of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is ZLLQOMOPQHSBTO-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)7-15-17(11)8-9(5-13)6-14/h3-5,7H,2,6,8,14H2,1H3/b9-5+.
What are the key properties of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one?
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-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 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 154637353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).