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

C23H23N5O3S — CID 60517379

IUPACN-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccc(O)cc3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H23N5O3S/c1-14(2)28-21-18(13-26-28)17(12-19(27-21)20-4-3-11-32-20)23(31)25-10-9-24-22(30)15-5-7-16(29)8-6-15/h3-8,11-14,29H,9-10H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyYGJPWGYUWYYSTG-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.61
Rot. Bonds7

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

N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60517379) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60517379
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccc(O)cc3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H23N5O3S/c1-14(2)28-21-18(13-26-28)17(12-19(27-21)20-4-3-11-32-20)23(31)25-10-9-24-22(30)15-5-7-16(29)8-6-15/h3-8,11-14,29H,9-10H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyYGJPWGYUWYYSTG-UHFFFAOYSA-N
XLogP3.61
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78832388
1-propan-2-yl-6-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46803442
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55474324
N-[2-(4-nitroanilino)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55474991
N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654897
1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78832578
N-(4-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580376
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
1-propan-2-yl-N-(pyridin-3-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36922798
N-(2-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581167
N,N-dimethyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46674063
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 45492956

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60517379) is N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccc(O)cc3)cc(-c3cccs3)nc21.
What is the InChIKey of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YGJPWGYUWYYSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14(2)28-21-18(13-26-28)17(12-19(27-21)20-4-3-11-32-20)23(31)25-10-9-24-22(30)15-5-7-16(29)8-6-15/h3-8,11-14,29H,9-10H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60517379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).