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

C26H24N6OS — CID 139015895

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

1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 139015895) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 139015895
• Molecular Formula: C26H24N6OS
• Molecular Weight: 468.59 g/mol
• Exact Mass: 468.17
• IUPAC Name: 1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)c12
• InChI: InChI=1S/C26H24N6OS/c1-16-21-19(15-20(17-11-7-5-8-12-17)27-22(21)32(4)31-16)23(33)28-25-30-29-24(34-25)26(2,3)18-13-9-6-10-14-18/h5-15H,1-4H3,(H,28,30,33)
• InChIKey: RZTFZXWABYWTHQ-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.59
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 139015895) is 1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)c12.

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

The InChIKey is RZTFZXWABYWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c1-16-21-19(15-20(17-11-7-5-8-12-17)27-22(21)32(4)31-16)23(33)28-25-30-29-24(34-25)26(2,3)18-13-9-6-10-14-18/h5-15H,1-4H3,(H,28,30,33).

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

1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 468.59 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 139015895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).