1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C23H18N6OS2 — CID 60549386

About 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60549386) has the molecular formula C23H18N6OS2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 60549386
• Molecular Formula: C23H18N6OS2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.10
• IUPAC Name: 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Sc4nncs4)cc3)c12
• InChI: InChI=1S/C23H18N6OS2/c1-14-20-18(12-19(15-6-4-3-5-7-15)26-21(20)29(2)28-14)22(30)25-16-8-10-17(11-9-16)32-23-27-24-13-31-23/h3-13H,1-2H3,(H,25,30)
• InChIKey: ZLFMVIILGRPKGB-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 60549386) is 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Sc4nncs4)cc3)c12.

What is the InChIKey of 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is ZLFMVIILGRPKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6OS2/c1-14-20-18(12-19(15-6-4-3-5-7-15)26-21(20)29(2)28-14)22(30)25-16-8-10-17(11-9-16)32-23-27-24-13-31-23/h3-13H,1-2H3,(H,25,30).

What are the key properties of 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60549386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).