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

C23H26N6OS — CID 55985444

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

1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55985444) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55985444
• Molecular Formula: C23H26N6OS
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.19
• IUPAC Name: 1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(-c4csnn4)cc3)c12
• InChI: InChI=1S/C23H26N6OS/c1-13(2)18-11-17(20-14(3)27-29(21(20)25-18)23(4,5)6)22(30)24-16-9-7-15(8-10-16)19-12-31-28-26-19/h7-13H,1-6H3,(H,24,30)
• InChIKey: ZUENCPGFBZPTCR-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55985444) is 1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(-c4csnn4)cc3)c12.

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

The InChIKey is ZUENCPGFBZPTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-13(2)18-11-17(20-14(3)27-29(21(20)25-18)23(4,5)6)22(30)24-16-9-7-15(8-10-16)19-12-31-28-26-19/h7-13H,1-6H3,(H,24,30).

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

1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55985444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).