2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide

C23H25F3N4O2 — CID 67209272

IUPAC2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1cc(C(F)(F)F)c2c(C3CCCC3)nn(C)c2n1)c1ccccc1
InChIInChI=1S/C23H25F3N4O2/c1-14(15-8-4-3-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(16-10-6-7-11-16)29-30(2)22(20)28-19/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3,(H,27,31)
InChIKeyHJICLQMTTWHEBQ-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.90
Rot. Bonds6

About 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide

2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide (PubChem CID 67209272) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide
PubChem CID67209272
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1cc(C(F)(F)F)c2c(C3CCCC3)nn(C)c2n1)c1ccccc1
InChIInChI=1S/C23H25F3N4O2/c1-14(15-8-4-3-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(16-10-6-7-11-16)29-30(2)22(20)28-19/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3,(H,27,31)
InChIKeyHJICLQMTTWHEBQ-UHFFFAOYSA-N
XLogP4.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 67209227
2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 67209358
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 94078983
N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 67209507
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 94078982
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 67209329
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 53242213
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide
CID 67209535
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 67209700
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 67209699
2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 67209228
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
CID 50791241

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide (CID 67209272) is 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1cc(C(F)(F)F)c2c(C3CCCC3)nn(C)c2n1)c1ccccc1.
What is the InChIKey of 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide?
The InChIKey is HJICLQMTTWHEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-14(15-8-4-3-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(16-10-6-7-11-16)29-30(2)22(20)28-19/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3,(H,27,31).
What are the key properties of 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide?
2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide has a molecular weight of 446.47 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 67209272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).