3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide

C13H9BrF3N5O2 — CID 166349878

IUPAC3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(Nc1cn[nH]c1OCC(F)(F)F)c1ccc2c(Br)cnn2c1
InChIInChI=1S/C13H9BrF3N5O2/c14-8-3-19-22-5-7(1-2-10(8)22)11(23)20-9-4-18-21-12(9)24-6-13(15,16)17/h1-5H,6H2,(H,18,21)(H,20,23)
InChIKeyAFGZVQPEILPECI-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.01
Rot. Bonds4

About 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide

3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 166349878) has the molecular formula C13H9BrF3N5O2 and a molecular weight of 404.15 g/mol. Its IUPAC name is 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID166349878
Molecular FormulaC13H9BrF3N5O2
Molecular Weight404.15 g/mol
Exact Mass402.99
IUPAC Name3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(Nc1cn[nH]c1OCC(F)(F)F)c1ccc2c(Br)cnn2c1
InChIInChI=1S/C13H9BrF3N5O2/c14-8-3-19-22-5-7(1-2-10(8)22)11(23)20-9-4-18-21-12(9)24-6-13(15,16)17/h1-5H,6H2,(H,18,21)(H,20,23)
InChIKeyAFGZVQPEILPECI-UHFFFAOYSA-N
XLogP3.01
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 166349878) is 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is O=C(Nc1cn[nH]c1OCC(F)(F)F)c1ccc2c(Br)cnn2c1.
What is the InChIKey of 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is AFGZVQPEILPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N5O2/c14-8-3-19-22-5-7(1-2-10(8)22)11(23)20-9-4-18-21-12(9)24-6-13(15,16)17/h1-5H,6H2,(H,18,21)(H,20,23).
What are the key properties of 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 404.15 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 166349878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).