6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C28H23ClN4O2 — CID 46364939

IUPAC6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2[nH]nc3nc(-c4ccc(Cl)cc4)cc(C(=O)NCc4ccc(C)cc4)c23)cc1
InChIInChI=1S/C28H23ClN4O2/c1-17-3-5-18(6-4-17)16-30-28(34)23-15-24(19-7-11-21(29)12-8-19)31-27-25(23)26(32-33-27)20-9-13-22(35-2)14-10-20/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyPWWUPVTUSUHMRV-UHFFFAOYSA-N
MW482.97 g/mol
LogP6.19
Rot. Bonds6

About 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46364939) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID46364939
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC Name6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2[nH]nc3nc(-c4ccc(Cl)cc4)cc(C(=O)NCc4ccc(C)cc4)c23)cc1
InChIInChI=1S/C28H23ClN4O2/c1-17-3-5-18(6-4-17)16-30-28(34)23-15-24(19-7-11-21(29)12-8-19)31-27-25(23)26(32-33-27)20-9-13-22(35-2)14-10-20/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyPWWUPVTUSUHMRV-UHFFFAOYSA-N
XLogP6.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364958
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 71821260
3-(4-bromophenyl)-6-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364900
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364779
6-(4-ethylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548899
6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364926
N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364893
ethyl 6-(4-methoxycarbonylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684810
6-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548804
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46364939) is 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc(-c2[nH]nc3nc(-c4ccc(Cl)cc4)cc(C(=O)NCc4ccc(C)cc4)c23)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is PWWUPVTUSUHMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c1-17-3-5-18(6-4-17)16-30-28(34)23-15-24(19-7-11-21(29)12-8-19)31-27-25(23)26(32-33-27)20-9-13-22(35-2)14-10-20/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33).
What are the key properties of 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46364939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).