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

C25H29N5O4S — CID 16591725

IUPAC6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C25H29N5O4S/c1-14(2)30-24-21(13-26-30)20(12-23(27-24)19-10-16(4)34-17(19)5)25(31)28-22-11-18(9-8-15(22)3)35(32,33)29(6)7/h8-14H,1-7H3,(H,28,31)
InChIKeyMLWAZUHOQPUWAH-UHFFFAOYSA-N
MW495.61 g/mol
LogP4.70
Rot. Bonds6

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

6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16591725) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16591725
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C25H29N5O4S/c1-14(2)30-24-21(13-26-30)20(12-23(27-24)19-10-16(4)34-17(19)5)25(31)28-22-11-18(9-8-15(22)3)35(32,33)29(6)7/h8-14H,1-7H3,(H,28,31)
InChIKeyMLWAZUHOQPUWAH-UHFFFAOYSA-N
XLogP4.70
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16591725) is 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MLWAZUHOQPUWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-14(2)30-24-21(13-26-30)20(12-23(27-24)19-10-16(4)34-17(19)5)25(31)28-22-11-18(9-8-15(22)3)35(32,33)29(6)7/h8-14H,1-7H3,(H,28,31).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16591725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).