N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

C25H23F3N4O2 — CID 50791540

IUPACN-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCCc1ccc(NC(=O)COc2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1
InChIInChI=1S/C25H23F3N4O2/c1-4-17-7-9-18(10-8-17)29-21(33)14-34-22-13-20(25(26,27)28)23-16(3)31-32(24(23)30-22)19-11-5-15(2)6-12-19/h5-13H,4,14H2,1-3H3,(H,29,33)
InChIKeyCANZWMOBPDUNCA-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.64
Rot. Bonds6

About N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50791540) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID50791540
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC NameN-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCCc1ccc(NC(=O)COc2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1
InChIInChI=1S/C25H23F3N4O2/c1-4-17-7-9-18(10-8-17)29-21(33)14-34-22-13-20(25(26,27)28)23-16(3)31-32(24(23)30-22)19-11-5-15(2)6-12-19/h5-13H,4,14H2,1-3H3,(H,29,33)
InChIKeyCANZWMOBPDUNCA-UHFFFAOYSA-N
XLogP5.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methylphenyl)acetamide
CID 50791265
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 50791402
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791122
2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-fluorophenyl)acetamide
CID 50799170
N-(2-chlorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791456
N-(4-chlorophenyl)-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50799267
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 94078983
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 94078982
N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791739
N-(4-acetylphenyl)-2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791482
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone
CID 50791377
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791206

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50791540) is N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is CCc1ccc(NC(=O)COc2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is CANZWMOBPDUNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-4-17-7-9-18(10-8-17)29-21(33)14-34-22-13-20(25(26,27)28)23-16(3)31-32(24(23)30-22)19-11-5-15(2)6-12-19/h5-13H,4,14H2,1-3H3,(H,29,33).
What are the key properties of N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 468.48 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50791540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).