1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C23H20F3N5O2S — CID 46803442

IUPAC1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H20F3N5O2S/c1-13(2)31-20-17(11-28-31)16(10-18(30-20)19-4-3-9-34-19)22(33)29-15-7-5-14(6-8-15)21(32)27-12-23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,32)(H,29,33)
InChIKeyAERQSFAUDIJQHZ-UHFFFAOYSA-N
MW487.51 g/mol
LogP5.29
Rot. Bonds6

About 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46803442) has the molecular formula C23H20F3N5O2S and a molecular weight of 487.51 g/mol. Its IUPAC name is 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46803442
Molecular FormulaC23H20F3N5O2S
Molecular Weight487.51 g/mol
Exact Mass487.13
IUPAC Name1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H20F3N5O2S/c1-13(2)31-20-17(11-28-31)16(10-18(30-20)19-4-3-9-34-19)22(33)29-15-7-5-14(6-8-15)21(32)27-12-23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,32)(H,29,33)
InChIKeyAERQSFAUDIJQHZ-UHFFFAOYSA-N
XLogP5.29
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.51
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580376
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 45492956
1-propan-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24657561
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60517379
1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610677
N-(3-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495888
1-propan-2-yl-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60617355
N-(2-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581167
N-(4-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46550778
N-(2-hydroxyethyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78832388
N-(1-amino-2-methylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119521467
1-propan-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580455

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 46803442) is 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)cc(-c3cccs3)nc21.
What is the InChIKey of 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AERQSFAUDIJQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2S/c1-13(2)31-20-17(11-28-31)16(10-18(30-20)19-4-3-9-34-19)22(33)29-15-7-5-14(6-8-15)21(32)27-12-23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,32)(H,29,33).
What are the key properties of 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46803442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).