6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H25N5OS — CID 60568891

About 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 60568891) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 60568891
• Molecular Formula: C23H25N5OS
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.18
• IUPAC Name: 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1nc2c(cnn2C(C)C)cc1C(=O)NC(C)c1sc(-c2ccccc2)nc1C
• InChI: InChI=1S/C23H25N5OS/c1-13(2)28-21-18(12-24-28)11-19(14(3)25-21)22(29)26-15(4)20-16(5)27-23(30-20)17-9-7-6-8-10-17/h6-13,15H,1-5H3,(H,26,29)
• InChIKey: UHBUDXKNYZEJJR-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 60568891) is 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)NC(C)c1sc(-c2ccccc2)nc1C.

What is the InChIKey of 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is UHBUDXKNYZEJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-13(2)28-21-18(12-24-28)11-19(14(3)25-21)22(29)26-15(4)20-16(5)27-23(30-20)17-9-7-6-8-10-17/h6-13,15H,1-5H3,(H,26,29).

What are the key properties of 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 60568891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).