N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H31N5O3S — CID 43030162

About N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43030162) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 43030162
• Molecular Formula: C23H31N5O3S
• Molecular Weight: 457.60 g/mol
• Exact Mass: 457.21
• IUPAC Name: N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C23H31N5O3S/c1-14(2)20-12-18(19-13-24-28(15(3)4)21(19)26-20)22(29)25-16-9-8-10-17(11-16)32(30,31)27-23(5,6)7/h8-15,27H,1-7H3,(H,25,29)
• InChIKey: FHTQSGBXVKOMQG-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.60
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 43030162) is N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c2cnn(C(C)C)c2n1.

What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is FHTQSGBXVKOMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-14(2)20-12-18(19-13-24-28(15(3)4)21(19)26-20)22(29)25-16-9-8-10-17(11-16)32(30,31)27-23(5,6)7/h8-15,27H,1-7H3,(H,25,29).

What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43030162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).