N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H30N4O4S — CID 55931856

IUPACN-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCCS(=O)(=O)Cc3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C26H30N4O4S/c1-17(2)30-25-23(15-28-30)22(14-24(29-25)21-13-18(3)34-19(21)4)26(31)27-11-8-12-35(32,33)16-20-9-6-5-7-10-20/h5-7,9-10,13-15,17H,8,11-12,16H2,1-4H3,(H,27,31)
InChIKeyDCIOYFZMCQNLDH-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.62
Rot. Bonds9

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

N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55931856) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55931856
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC NameN-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCCS(=O)(=O)Cc3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C26H30N4O4S/c1-17(2)30-25-23(15-28-30)22(14-24(29-25)21-13-18(3)34-19(21)4)26(31)27-11-8-12-35(32,33)16-20-9-6-5-7-10-20/h5-7,9-10,13-15,17H,8,11-12,16H2,1-4H3,(H,27,31)
InChIKeyDCIOYFZMCQNLDH-UHFFFAOYSA-N
XLogP4.62
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119405283
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16591725
N-butyl-6-(2,5-dimethylfuran-3-yl)-N-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18268870
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24596747
N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494613
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
CID 43040476
N-[2-(benzenesulfonyl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55734280

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55931856) is N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCCCS(=O)(=O)Cc3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DCIOYFZMCQNLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-17(2)30-25-23(15-28-30)22(14-24(29-25)21-13-18(3)34-19(21)4)26(31)27-11-8-12-35(32,33)16-20-9-6-5-7-10-20/h5-7,9-10,13-15,17H,8,11-12,16H2,1-4H3,(H,27,31).
What are the key properties of N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfonylpropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55931856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).