7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C14H13F3N2O3 — CID 130230027

IUPAC7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)5-6-22-11-4-3-10-9(13(20)21)7-18-19(10)12(11)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,20,21)
InChIKeyBBINZNMFVJQOJN-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.24
Rot. Bonds5

About 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid

7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 130230027) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID130230027
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)5-6-22-11-4-3-10-9(13(20)21)7-18-19(10)12(11)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,20,21)
InChIKeyBBINZNMFVJQOJN-UHFFFAOYSA-N
XLogP3.24
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 130230027) is 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12.
What is the InChIKey of 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is BBINZNMFVJQOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c15-14(16,17)5-6-22-11-4-3-10-9(13(20)21)7-18-19(10)12(11)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,20,21).
What are the key properties of 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 314.26 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 130230027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).