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

C21H21N5OS — CID 41487402

IUPAC6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)cc1
InChIInChI=1S/C21H21N5OS/c1-12(2)26-19-16(10-22-26)9-17(14(4)23-19)20(27)25-21-24-18(11-28-21)15-7-5-13(3)6-8-15/h5-12H,1-4H3,(H,24,25,27)
InChIKeyYFRNTZGXUNTHLZ-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.00
Rot. Bonds4

About 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 41487402) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID41487402
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)cc1
InChIInChI=1S/C21H21N5OS/c1-12(2)26-19-16(10-22-26)9-17(14(4)23-19)20(27)25-21-24-18(11-28-21)15-7-5-13(3)6-8-15/h5-12H,1-4H3,(H,24,25,27)
InChIKeyYFRNTZGXUNTHLZ-UHFFFAOYSA-N
XLogP5.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37141769
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25477912
N-(2-methoxy-5-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485518
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
N-(2,5-difluorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484970
N-(2,4-dichlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484356
N-(3-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484239
N-(2-chloro-4-fluorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485104
6-methyl-N-(6-methylsulfonyl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78878630
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
6-methyl-1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43035643

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 41487402) is 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)cc1.
What is the InChIKey of 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YFRNTZGXUNTHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-12(2)26-19-16(10-22-26)9-17(14(4)23-19)20(27)25-21-24-18(11-28-21)15-7-5-13(3)6-8-15/h5-12H,1-4H3,(H,24,25,27).
What are the key properties of 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 41487402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).