1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H26N6O2S — CID 55621989

About 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55621989) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55621989
• Molecular Formula: C23H26N6O2S
• Molecular Weight: 450.57 g/mol
• Exact Mass: 450.18
• IUPAC Name: 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nc(C2(NC(=O)c3cc(-c4cccs4)nc4c3c(C)nn4C)CCCCCC2)no1
• InChI: InChI=1S/C23H26N6O2S/c1-14-19-16(13-17(18-9-8-12-32-18)25-20(19)29(3)27-14)21(30)26-23(10-6-4-5-7-11-23)22-24-15(2)31-28-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,26,30)
• InChIKey: NWYRULBTRYBOBD-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.57
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55621989) is 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nc(C2(NC(=O)c3cc(-c4cccs4)nc4c3c(C)nn4C)CCCCCC2)no1.

What is the InChIKey of 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is NWYRULBTRYBOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-14-19-16(13-17(18-9-8-12-32-18)25-20(19)29(3)27-14)21(30)26-23(10-6-4-5-7-11-23)22-24-15(2)31-28-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,26,30).

What are the key properties of 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55621989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).