N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H21N5O2S — CID 45492956

IUPACN-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C22H21N5O2S/c1-13(2)27-21-18(12-23-27)17(11-19(26-21)20-5-4-10-30-20)22(29)25-16-8-6-15(7-9-16)24-14(3)28/h4-13H,1-3H3,(H,24,28)(H,25,29)
InChIKeyFTFALKKKWPFJLT-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.95
Rot. Bonds5

About N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 45492956) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID45492956
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C22H21N5O2S/c1-13(2)27-21-18(12-23-27)17(11-19(26-21)20-5-4-10-30-20)22(29)25-16-8-6-15(7-9-16)24-14(3)28/h4-13H,1-3H3,(H,24,28)(H,25,29)
InChIKeyFTFALKKKWPFJLT-UHFFFAOYSA-N
XLogP4.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.95
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-acetamido-3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46550778
N-(5-acetamido-2-chlorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55915321
N-(3-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495888
N-(2-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581167
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134036856
1-propan-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24657561
1-propan-2-yl-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60617355
1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610677
1-propan-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580455
1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46803442
1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18267760

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 45492956) is N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FTFALKKKWPFJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-13(2)27-21-18(12-23-27)17(11-19(26-21)20-5-4-10-30-20)22(29)25-16-8-6-15(7-9-16)24-14(3)28/h4-13H,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 45492956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).