6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H16Cl2N4O — CID 134803296

IUPAC6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(C(=O)c1cc(-c2cc(Cl)cc(Cl)c2)nc2c1cnn2C)c1ccccc1
InChIInChI=1S/C21H16Cl2N4O/c1-26(16-6-4-3-5-7-16)21(28)17-11-19(13-8-14(22)10-15(23)9-13)25-20-18(17)12-24-27(20)2/h3-12H,1-2H3
InChIKeyIYLCLHOMCCHSTL-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.22
Rot. Bonds3

About 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134803296) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134803296
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC Name6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(C(=O)c1cc(-c2cc(Cl)cc(Cl)c2)nc2c1cnn2C)c1ccccc1
InChIInChI=1S/C21H16Cl2N4O/c1-26(16-6-4-3-5-7-16)21(28)17-11-19(13-8-14(22)10-15(23)9-13)25-20-18(17)12-24-27(20)2/h3-12H,1-2H3
InChIKeyIYLCLHOMCCHSTL-UHFFFAOYSA-N
XLogP5.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802321
6-(2,4-dichlorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134790626
N-(4-carbamoylphenyl)-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55904592
6-(2-fluorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801674
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
6-(3-methoxyphenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803311
7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2056140
N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794177
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800795
6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134795259
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134803296) is 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CN(C(=O)c1cc(-c2cc(Cl)cc(Cl)c2)nc2c1cnn2C)c1ccccc1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IYLCLHOMCCHSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c1-26(16-6-4-3-5-7-16)21(28)17-11-19(13-8-14(22)10-15(23)9-13)25-20-18(17)12-24-27(20)2/h3-12H,1-2H3.
What are the key properties of 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134803296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).