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

C23H19F3N4O2 — CID 134802185

IUPAC6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)c3cnn(C)c3n2)c1
InChIInChI=1S/C23H19F3N4O2/c1-30-21-19(13-28-30)18(11-20(29-21)15-6-4-8-17(10-15)32-2)22(31)27-12-14-5-3-7-16(9-14)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,31)
InChIKeyDZLGKYHOEFAJDG-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.59
Rot. Bonds5

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

6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802185) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802185
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)c3cnn(C)c3n2)c1
InChIInChI=1S/C23H19F3N4O2/c1-30-21-19(13-28-30)18(11-20(29-21)15-6-4-8-17(10-15)32-2)22(31)27-12-14-5-3-7-16(9-14)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,31)
InChIKeyDZLGKYHOEFAJDG-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802185) is 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)c3cnn(C)c3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DZLGKYHOEFAJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-30-21-19(13-28-30)18(11-20(29-21)15-6-4-8-17(10-15)32-2)22(31)27-12-14-5-3-7-16(9-14)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,31).
What are the key properties of 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).