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

C22H17F3N4O2 — CID 134800954

IUPAC6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3cnn(C)c3n2)c1
InChIInChI=1S/C22H17F3N4O2/c1-29-20-18(12-26-29)17(11-19(28-20)13-5-3-8-16(9-13)31-2)21(30)27-15-7-4-6-14(10-15)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyXQOFEMLJYIKGGQ-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.91
Rot. Bonds4

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

6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800954) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800954
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3cnn(C)c3n2)c1
InChIInChI=1S/C22H17F3N4O2/c1-29-20-18(12-26-29)17(11-19(28-20)13-5-3-8-16(9-13)31-2)21(30)27-15-7-4-6-14(10-15)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyXQOFEMLJYIKGGQ-UHFFFAOYSA-N
XLogP4.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.91
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]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134800954) is 6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3cnn(C)c3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XQOFEMLJYIKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-29-20-18(12-26-29)17(11-19(28-20)13-5-3-8-16(9-13)31-2)21(30)27-15-7-4-6-14(10-15)22(23,24)25/h3-12H,1-2H3,(H,27,30).
What are the key properties of 6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(3-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 4.91, 4 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]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).