N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C23H19F3N4O3 — CID 134800689

IUPACN-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)cc1OC
InChIInChI=1S/C23H19F3N4O3/c1-30-21-16(12-27-30)15(22(31)28-13-8-9-19(32-2)20(10-13)33-3)11-18(29-21)14-6-4-5-7-17(14)23(24,25)26/h4-12H,1-3H3,(H,28,31)
InChIKeyYRUZJPWIYBWNKN-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.92
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800689) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800689
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC NameN-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)cc1OC
InChIInChI=1S/C23H19F3N4O3/c1-30-21-16(12-27-30)15(22(31)28-13-8-9-19(32-2)20(10-13)33-3)11-18(29-21)14-6-4-5-7-17(14)23(24,25)26/h4-12H,1-3H3,(H,28,31)
InChIKeyYRUZJPWIYBWNKN-UHFFFAOYSA-N
XLogP4.92
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134800689) is N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YRUZJPWIYBWNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-30-21-16(12-27-30)15(22(31)28-13-8-9-19(32-2)20(10-13)33-3)11-18(29-21)14-6-4-5-7-17(14)23(24,25)26/h4-12H,1-3H3,(H,28,31).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 456.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).