N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

C23H21ClN4O2 — CID 50791739

IUPACN-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1ccc(-n2nc(C)c3c(C)cc(OCC(=O)Nc4ccc(Cl)cc4)nc32)cc1
InChIInChI=1S/C23H21ClN4O2/c1-14-4-10-19(11-5-14)28-23-22(16(3)27-28)15(2)12-21(26-23)30-13-20(29)25-18-8-6-17(24)7-9-18/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyMJGSJBWDTKUCQH-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.02
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50791739) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID50791739
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1ccc(-n2nc(C)c3c(C)cc(OCC(=O)Nc4ccc(Cl)cc4)nc32)cc1
InChIInChI=1S/C23H21ClN4O2/c1-14-4-10-19(11-5-14)28-23-22(16(3)27-28)15(2)12-21(26-23)30-13-20(29)25-18-8-6-17(24)7-9-18/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyMJGSJBWDTKUCQH-UHFFFAOYSA-N
XLogP5.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50799267
2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791670
2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-fluorophenyl)acetamide
CID 50799170
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methylphenyl)acetamide
CID 50791265
N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791540
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791122
N-(2-chlorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791456
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 50791402
N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791202
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791230
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50791739) is N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cc1ccc(-n2nc(C)c3c(C)cc(OCC(=O)Nc4ccc(Cl)cc4)nc32)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is MJGSJBWDTKUCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-4-10-19(11-5-14)28-23-22(16(3)27-28)15(2)12-21(26-23)30-13-20(29)25-18-8-6-17(24)7-9-18/h4-12H,13H2,1-3H3,(H,25,29).
What are the key properties of N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 420.90 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50791739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).