N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H20N6O2S — CID 25477912

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1
InChIInChI=1S/C21H20N6O2S/c1-12(2)27-19-15(10-23-27)8-16(9-22-19)20(29)26-21-25-18(11-30-21)14-4-6-17(7-5-14)24-13(3)28/h4-12H,1-3H3,(H,24,28)(H,25,26,29)
InChIKeySURLXBLTACFILA-UHFFFAOYSA-N
MW420.50 g/mol
LogP4.35
Rot. Bonds5

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 25477912) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID25477912
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1
InChIInChI=1S/C21H20N6O2S/c1-12(2)27-19-15(10-23-27)8-16(9-22-19)20(29)26-21-25-18(11-30-21)14-4-6-17(7-5-14)24-13(3)28/h4-12H,1-3H3,(H,24,28)(H,25,26,29)
InChIKeySURLXBLTACFILA-UHFFFAOYSA-N
XLogP4.35
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25492248
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586345
6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41487402
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55688821
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 75451095
N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 25477912) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is SURLXBLTACFILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-12(2)27-19-15(10-23-27)8-16(9-22-19)20(29)26-21-25-18(11-30-21)14-4-6-17(7-5-14)24-13(3)28/h4-12H,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 25477912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).