N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C23H22FN5O3S — CID 46674105

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C
InChIInChI=1S/C23H22FN5O3S/c1-13(2)29-21-18(12-25-29)17(11-19(26-21)20-5-4-10-33-20)23(31)28-27-22(30)14(3)32-16-8-6-15(24)7-9-16/h4-14H,1-3H3,(H,27,30)(H,28,31)
InChIKeyOOOGRNFTRNWCAG-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.11
Rot. Bonds6

About N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 46674105) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID46674105
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C
InChIInChI=1S/C23H22FN5O3S/c1-13(2)29-21-18(12-25-29)17(11-19(26-21)20-5-4-10-33-20)23(31)28-27-22(30)14(3)32-16-8-6-15(24)7-9-16/h4-14H,1-3H3,(H,27,30)(H,28,31)
InChIKeyOOOGRNFTRNWCAG-UHFFFAOYSA-N
XLogP4.11
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78832578
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 45492956
N-(2-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581167
N-(2-hydroxyethyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78832388
N-(1-amino-2-methylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119521467
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
N,N-dimethyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46674063
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60517379
1-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530413
N-(4-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580376
1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18267760
N-(1-methylpyrazol-3-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17393600

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 46674105) is N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is OOOGRNFTRNWCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-13(2)29-21-18(12-25-29)17(11-19(26-21)20-5-4-10-33-20)23(31)28-27-22(30)14(3)32-16-8-6-15(24)7-9-16/h4-14H,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 467.53 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 46674105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).