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

C20H21F3N4O4 — CID 50791549

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCOc1cccc(CNC(=O)COc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c1OC
InChIInChI=1S/C20H21F3N4O4/c1-11-17-13(20(21,22)23)8-16(25-19(17)27(2)26-11)31-10-15(28)24-9-12-6-5-7-14(29-3)18(12)30-4/h5-8H,9-10H2,1-4H3,(H,24,28)
InChIKeyMLWJEKORHBHRHT-UHFFFAOYSA-N
MW438.41 g/mol
LogP3.01
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50791549) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID50791549
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCOc1cccc(CNC(=O)COc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c1OC
InChIInChI=1S/C20H21F3N4O4/c1-11-17-13(20(21,22)23)8-16(25-19(17)27(2)26-11)31-10-15(28)24-9-12-6-5-7-14(29-3)18(12)30-4/h5-8H,9-10H2,1-4H3,(H,24,28)
InChIKeyMLWJEKORHBHRHT-UHFFFAOYSA-N
XLogP3.01
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791155
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
CID 50791241
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 50791157
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methylphenyl)acetamide
CID 50791546
N-(4-acetamidophenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791465
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 50791243
N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791149
2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide
CID 50791483
2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide
CID 50791460
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(4-chlorophenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 50791423
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079313

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50791549) is N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is COc1cccc(CNC(=O)COc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is MLWJEKORHBHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c1-11-17-13(20(21,22)23)8-16(25-19(17)27(2)26-11)31-10-15(28)24-9-12-6-5-7-14(29-3)18(12)30-4/h5-8H,9-10H2,1-4H3,(H,24,28).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 438.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50791549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).