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

C23H19F3N4O2 — CID 134801382

IUPACN-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)cc1
InChIInChI=1S/C23H19F3N4O2/c1-3-32-15-10-8-14(9-11-15)28-22(31)17-12-20(29-21-18(17)13-27-30(21)2)16-6-4-5-7-19(16)23(24,25)26/h4-13H,3H2,1-2H3,(H,28,31)
InChIKeyCWPJSADYATWSQH-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.31
Rot. Bonds5

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

N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801382) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801382
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)cc1
InChIInChI=1S/C23H19F3N4O2/c1-3-32-15-10-8-14(9-11-15)28-22(31)17-12-20(29-21-18(17)13-27-30(21)2)16-6-4-5-7-19(16)23(24,25)26/h4-13H,3H2,1-2H3,(H,28,31)
InChIKeyCWPJSADYATWSQH-UHFFFAOYSA-N
XLogP5.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801382) is N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CWPJSADYATWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-3-32-15-10-8-14(9-11-15)28-22(31)17-12-20(29-21-18(17)13-27-30(21)2)16-6-4-5-7-19(16)23(24,25)26/h4-13H,3H2,1-2H3,(H,28,31).
What are the key properties of N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).