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

C12H16ClFN4O — CID 154637483

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride
SMILESCCn1ccc2nn(C/C(=C/F)CN)cc2c1=O.Cl
InChIInChI=1S/C12H15FN4O.ClH/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;1H/b9-5+;
InChIKeyNZMBEPIMKRRTGY-SZKNIZGXSA-N
MW286.74 g/mol
LogP1.45
Rot. Bonds4

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

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride (PubChem CID 154637483) has the molecular formula C12H16ClFN4O and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride
PubChem CID154637483
Molecular FormulaC12H16ClFN4O
Molecular Weight286.74 g/mol
Exact Mass286.10
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride
SMILESCCn1ccc2nn(C/C(=C/F)CN)cc2c1=O.Cl
InChIInChI=1S/C12H15FN4O.ClH/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;1H/b9-5+;
InChIKeyNZMBEPIMKRRTGY-SZKNIZGXSA-N
XLogP1.45
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.45
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-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride (CID 154637483) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride is CCn1ccc2nn(C/C(=C/F)CN)cc2c1=O.Cl.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride?
The InChIKey is NZMBEPIMKRRTGY-SZKNIZGXSA-N. The full InChI is InChI=1S/C12H15FN4O.ClH/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;1H/b9-5+;.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride has a molecular weight of 286.74 g/mol, XLogP of 1.45, 4 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-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride is sourced from PubChem (CID 154637483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).