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

C28H23FN4O2 — CID 46364958

IUPAC3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3n[nH]c(-c4ccc(F)cc4)c23)c1
InChIInChI=1S/C28H23FN4O2/c1-17-6-8-19(9-7-17)24-15-23(28(34)30-16-18-4-3-5-22(14-18)35-2)25-26(32-33-27(25)31-24)20-10-12-21(29)13-11-20/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyMKENCTUZNHSJKZ-UHFFFAOYSA-N
MW466.52 g/mol
LogP5.68
Rot. Bonds6

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

3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46364958) has the molecular formula C28H23FN4O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID46364958
Molecular FormulaC28H23FN4O2
Molecular Weight466.52 g/mol
Exact Mass466.18
IUPAC Name3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3n[nH]c(-c4ccc(F)cc4)c23)c1
InChIInChI=1S/C28H23FN4O2/c1-17-6-8-19(9-7-17)24-15-23(28(34)30-16-18-4-3-5-22(14-18)35-2)25-26(32-33-27(25)31-24)20-10-12-21(29)13-11-20/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyMKENCTUZNHSJKZ-UHFFFAOYSA-N
XLogP5.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364939
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364779
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548747
6-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548804
3-(4-bromophenyl)-6-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364900
N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364893
N-butyl-6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364827
ethyl 6-(4-methoxycarbonylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684810
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 15988341
6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364772

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46364958) is 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is COc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3n[nH]c(-c4ccc(F)cc4)c23)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is MKENCTUZNHSJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O2/c1-17-6-8-19(9-7-17)24-15-23(28(34)30-16-18-4-3-5-22(14-18)35-2)25-26(32-33-27(25)31-24)20-10-12-21(29)13-11-20/h3-15H,16H2,1-2H3,(H,30,34)(H,31,32,33).
What are the key properties of 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46364958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).