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

C29H26N4O3 — CID 6625236

IUPAC4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)nc3n[nH]c(-c4ccccc4)c23)cc1OC
InChIInChI=1S/C29H26N4O3/c1-35-24-14-13-21(17-25(24)36-2)22-18-23(29(34)30-16-15-19-9-5-3-6-10-19)31-28-26(22)27(32-33-28)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyQABSBRATBKFLTP-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.28
Rot. Bonds8

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

4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 6625236) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
PubChem CID6625236
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)nc3n[nH]c(-c4ccccc4)c23)cc1OC
InChIInChI=1S/C29H26N4O3/c1-35-24-14-13-21(17-25(24)36-2)22-18-23(29(34)30-16-15-19-9-5-3-6-10-19)31-28-26(22)27(32-33-28)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyQABSBRATBKFLTP-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

6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 15988341
N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364893
6-(4-chlorophenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364926
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
CID 1023805
N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426212
5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56759334
N-butyl-6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364827
3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774
6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364772
6-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690144
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide (CID 6625236) is 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccccc3)nc3n[nH]c(-c4ccccc4)c23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is QABSBRATBKFLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-35-24-14-13-21(17-25(24)36-2)22-18-23(29(34)30-16-15-19-9-5-3-6-10-19)31-28-26(22)27(32-33-28)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 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide?
4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-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 4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 6625236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).