2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide

C13H14F3N3O2 — CID 129034318

IUPAC2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O
InChIInChI=1S/C13H14F3N3O2/c1-7(2)11(20)17-6-9-10(13(14,15)16)5-8-3-4-18-19(8)12(9)21/h3-5,7,18H,6H2,1-2H3,(H,17,20)
InChIKeyHOIDXKXQWUFMPP-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.92
Rot. Bonds3

About 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide

2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide (PubChem CID 129034318) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
PubChem CID129034318
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O
InChIInChI=1S/C13H14F3N3O2/c1-7(2)11(20)17-6-9-10(13(14,15)16)5-8-3-4-18-19(8)12(9)21/h3-5,7,18H,6H2,1-2H3,(H,17,20)
InChIKeyHOIDXKXQWUFMPP-UHFFFAOYSA-N
XLogP1.92
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide (CID 129034318) is 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide is CC(C)C(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O.
What is the InChIKey of 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide?
The InChIKey is HOIDXKXQWUFMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-7(2)11(20)17-6-9-10(13(14,15)16)5-8-3-4-18-19(8)12(9)21/h3-5,7,18H,6H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide?
2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide has a molecular weight of 301.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide is sourced from PubChem (CID 129034318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).