2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

C21H20N6O2S — CID 78835736

IUPAC2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)Nc2ncc(C(N)=O)s2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H20N6O2S/c1-11(2)27-19-15(9-24-27)14(8-16(25-19)13-7-5-4-6-12(13)3)20(29)26-21-23-10-17(30-21)18(22)28/h4-11H,1-3H3,(H2,22,28)(H,23,26,29)
InChIKeyFMFHJBGFNZYQSQ-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.80
Rot. Bonds5

About 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78835736) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78835736
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)Nc2ncc(C(N)=O)s2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H20N6O2S/c1-11(2)27-19-15(9-24-27)14(8-16(25-19)13-7-5-4-6-12(13)3)20(29)26-21-23-10-17(30-21)18(22)28/h4-11H,1-3H3,(H2,22,28)(H,23,26,29)
InChIKeyFMFHJBGFNZYQSQ-UHFFFAOYSA-N
XLogP3.80
TPSA115.79 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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17468697
6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577
N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52846168
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233
N-(2-methyl-5-methylsulfonylphenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134011934
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86783261
N-[4-(diethylcarbamoyl)phenyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46699731
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
6-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27991476
6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494038
6-(2-methylphenyl)-N-piperidin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119389505
6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55951668

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 78835736) is 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is Cc1ccccc1-c1cc(C(=O)Nc2ncc(C(N)=O)s2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is FMFHJBGFNZYQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-11(2)27-19-15(9-24-27)14(8-16(25-19)13-7-5-4-6-12(13)3)20(29)26-21-23-10-17(30-21)18(22)28/h4-11H,1-3H3,(H2,22,28)(H,23,26,29).
What are the key properties of 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78835736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).