3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid

C15H15FN4O2 — CID 144653789

IUPAC3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESC=Cc1c(/C=C(\C)F)c(Nc2cnccc2C(=O)O)nn1C
InChIInChI=1S/C15H15FN4O2/c1-4-13-11(7-9(2)16)14(19-20(13)3)18-12-8-17-6-5-10(12)15(21)22/h4-8H,1H2,2-3H3,(H,18,19)(H,21,22)/b9-7+
InChIKeyWZYGUIWYHFECAA-VQHVLOKHSA-N
MW302.31 g/mol
LogP3.23
Rot. Bonds5

About 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid

3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid (PubChem CID 144653789) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
PubChem CID144653789
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESC=Cc1c(/C=C(\C)F)c(Nc2cnccc2C(=O)O)nn1C
InChIInChI=1S/C15H15FN4O2/c1-4-13-11(7-9(2)16)14(19-20(13)3)18-12-8-17-6-5-10(12)15(21)22/h4-8H,1H2,2-3H3,(H,18,19)(H,21,22)/b9-7+
InChIKeyWZYGUIWYHFECAA-VQHVLOKHSA-N
XLogP3.23
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid (CID 144653789) is 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid is C=Cc1c(/C=C(\C)F)c(Nc2cnccc2C(=O)O)nn1C.
What is the InChIKey of 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is WZYGUIWYHFECAA-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-4-13-11(7-9(2)16)14(19-20(13)3)18-12-8-17-6-5-10(12)15(21)22/h4-8H,1H2,2-3H3,(H,18,19)(H,21,22)/b9-7+.
What are the key properties of 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1-methylpyrazol-3-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 144653789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).