2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

C15H11F3N4O2 — CID 135308294

IUPAC2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cn(CCC(F)(F)F)nc3cn2)c1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)2-4-22-8-10-6-12(20-7-13(10)21-22)11-5-9(14(23)24)1-3-19-11/h1,3,5-8H,2,4H2,(H,23,24)
InChIKeyAOGGTUJXEONYBU-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (PubChem CID 135308294) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
PubChem CID135308294
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cn(CCC(F)(F)F)nc3cn2)c1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)2-4-22-8-10-6-12(20-7-13(10)21-22)11-5-9(14(23)24)1-3-19-11/h1,3,5-8H,2,4H2,(H,23,24)
InChIKeyAOGGTUJXEONYBU-UHFFFAOYSA-N
XLogP3.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (CID 135308294) is 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cn(CCC(F)(F)F)nc3cn2)c1.
What is the InChIKey of 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The InChIKey is AOGGTUJXEONYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)2-4-22-8-10-6-12(20-7-13(10)21-22)11-5-9(14(23)24)1-3-19-11/h1,3,5-8H,2,4H2,(H,23,24).
What are the key properties of 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid has a molecular weight of 336.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135308294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).