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

C13H15FN4O — CID 154637463

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one
SMILESNC/C(=C\F)Cn1cc2c(=O)n(C3CC3)ccc2n1
InChIInChI=1S/C13H15FN4O/c14-5-9(6-15)7-17-8-11-12(16-17)3-4-18(13(11)19)10-1-2-10/h3-5,8,10H,1-2,6-7,15H2/b9-5+
InChIKeyQOQNNYOTQJJTNL-WEVVVXLNSA-N
MW262.29 g/mol
LogP1.35
Rot. Bonds4

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

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one (PubChem CID 154637463) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one
PubChem CID154637463
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one
SMILESNC/C(=C\F)Cn1cc2c(=O)n(C3CC3)ccc2n1
InChIInChI=1S/C13H15FN4O/c14-5-9(6-15)7-17-8-11-12(16-17)3-4-18(13(11)19)10-1-2-10/h3-5,8,10H,1-2,6-7,15H2/b9-5+
InChIKeyQOQNNYOTQJJTNL-WEVVVXLNSA-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 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one (CID 154637463) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one is NC/C(=C\F)Cn1cc2c(=O)n(C3CC3)ccc2n1.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one?
The InChIKey is QOQNNYOTQJJTNL-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-5-9(6-15)7-17-8-11-12(16-17)3-4-18(13(11)19)10-1-2-10/h3-5,8,10H,1-2,6-7,15H2/b9-5+.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-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 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 154637463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).