6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C29H26N4O3 — CID 15988341

IUPAC6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3c(-c4ccccc4)[nH]nc3n2)cc1OC
InChIInChI=1S/C29H26N4O3/c1-35-24-14-13-21(17-25(24)36-2)23-18-22(29(34)30-16-15-19-9-5-3-6-10-19)26-27(32-33-28(26)31-23)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyFQUWBKQFPCUNMJ-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.28
Rot. Bonds8

About 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 15988341) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID15988341
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3c(-c4ccccc4)[nH]nc3n2)cc1OC
InChIInChI=1S/C29H26N4O3/c1-35-24-14-13-21(17-25(24)36-2)23-18-22(29(34)30-16-15-19-9-5-3-6-10-19)26-27(32-33-28(26)31-23)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyFQUWBKQFPCUNMJ-UHFFFAOYSA-N
XLogP5.28
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364893
4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
CID 6625236
6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364926
N-butyl-6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364827
6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426194
N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426212
6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364772
3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774
6-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 46273446
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364779
3-(4-bromophenyl)-N-butyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364889
3-(4-bromophenyl)-6-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364900

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 15988341) is 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3c(-c4ccccc4)[nH]nc3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is FQUWBKQFPCUNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-35-24-14-13-21(17-25(24)36-2)23-18-22(29(34)30-16-15-19-9-5-3-6-10-19)26-27(32-33-28(26)31-23)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H,30,34)(H,31,32,33).
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 15988341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).